![CAS 1414345-95-1 10-chloro-5,5-difluoro-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414345-95-1.gif)
CAS RN: 1414345-95-1
10-chloro-5,5-difluoro-1,3,7,9-tetramethyl-5H-4l4,5l4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1414345-95-1
- Purity/Analytical Methods: >99.0%
1414345-95-1 / 8-chloro-2,2-difluoro-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
Basic Information
CAS
1414345-95-1
Multi CAS
No
Molecular Formula
C13H14BClF2N2
Molecular Weight
282.520000
Exact Mass
282.090663
SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)Cl)C)C)(F)F
InChI
InChI=1S/C13H14BClF2N2/c1-7-5-9(3)18-12(7)11(15)13-8(2)6-10(4)19(13)14(18,16)17/h5-6H,1-4H3
InChIKey
XEOSWGLGYOHLSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
5
Fraction Csp3
0.31
H-bond acceptors
1
Molar refractivity
74.75
TPSA
7.94
LogP / Solubility
WLOGP
3.68
MLOGP
3.25
XLogP3
3.68
Consensus LogP
3.54
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1414469-59-2 2,2′,2′-[1,3,5-Triazine-2,4,6-triyltris(oxy-4,1-phenylenecarbonyloxy)]tris[N,N,N-trimethyl-ethanaminium tri-iodide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414469-59-2.gif)
