![CAS 131083-16-4 [[(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1065-jpgcontextbwfzdgvyfhjvb3r8mzywmjd8aw1hz2uvanblz3xomduvaguzlzg5mza1nzqwmdgzntavrtewnjuuanbnfgq4otk5nmu1mjqyntvhmzc2ymuxzjg0zdy5nmmzotbmngq0ntllyti1ytq1ywm4nmyxmwuxymnjmjm1nzk0mti.jpeg)
CAS RN: 131083-16-4
[[(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 100mg / 200mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: ICTE1065
- Purity/Analytical Methods: >98.0%(HPLC)
131083-16-4 / 5,11-diethyl-2,2-difluoro-4,6,8,10,12-pentamethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Basic Information
CAS
131083-16-4
Multi CAS
No
Molecular Formula
C18H25BF2N2
Molecular Weight
318.200000
Exact Mass
318.207885
SMILES
[B-]1(N2C(=C(C(=C2C(=C3[N+]1=C(C(=C3C)CC)C)C)C)CC)C)(F)F
InChI
InChI=1S/C18H25BF2N2/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)23(18)19(20,21)22(17)13(15)6/h8-9H2,1-7H3
InChIKey
DZSMVBDAUBBZJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
93.18
TPSA
7.94
LogP / Solubility
WLOGP
4.85
MLOGP
4.28
XLogP3
4.85
Consensus LogP
4.66
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 137829-79-9 [[(4-tert-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-tert-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[[(4-tert-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-tert-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane)
- CAS RN: 137829-79-9
- Product Code: ICTB4400
- Purity/Analytical method: >98.0%(HPLC)(N)
-
[[(4-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane)
- CAS RN: 151486-56-5
- Product Code: ICTB4489
- Purity/Analytical method: >97.0%(HPLC)
-
-
-
Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate
- CAS RN: 1056693-13-0
- Product Code: ICTE0783
- Purity/Analytical method: >98.0%(HPLC)
-
![CAS 137829-79-9 [[(4-tert-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-tert-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4400-jpgcontextbwfzdgvyfhjvb3r8mzu5ndv8aw1hz2uvanblz3xoyjqvagm0lzg5mjkwndkyndc3nzqvqjq0mdauanbnfda5ntiyzti0ztqwzmi2ntm1mde0njq4mdexzdfmogexnwnhzdk2ndu1zde0zjm0yjk0mjzkmwq5owi1zdlimjc.jpeg)
![CAS 151486-56-5 [[(4-Butyl-3,5-dimethyl-1H-pyrrol-2-yl)(4-butyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]methane](difluoroborane) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4489-jpgcontextbwfzdgvyfhjvb3r8mzm5odf8aw1hz2uvanblz3xonmyvadzllzg5mjkwntq2odcynjivqjq0odkuanbnfdfhntkymtbiotyxnwfkzjrjyzqxotrindhjywzmyje0ogfmzwm1mmnjotuxmdezngu5zjhhztc5owyxzte2y2e.jpeg)
![CAS 630-88-6 Fluorescein Chloride [Reagent for Amines] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d0369-jpgcontextbwfzdgvyfhjvb3r8mzg2ntb8aw1hz2uvanblz3xoztivadfklzg5mjk3mzk2mdm5otgvrdaznjkuanbnfdllmjuzodnjmwy5mza5zguxzje2ngyyzjrlndm3y2y5yzblm2vmzgrjmjdknjk5mtqxzwyzowe3m2rlmgjhmtc.jpeg)
![CAS 1056693-13-0 Ethyl 6-[4-(Diphenylamino)phenyl]coumarin-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e0783-jpgcontextbwfzdgvyfhjvb3r8mze4mdh8aw1hz2uvanblz3xomgevaduxlzg5mza1mjyymzi2mdyvrta3odmuanbnfdhhmgu4owrkmmiyzdbhzwiyotdhmme1zgixytc5ntm3yzhimjyynwfmmzjiothmmdewmgiynznknze2zmu1zda.jpeg)
