CAS RN: 1072709-32-0
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
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.20250323 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1072709-32-0
- Purity/Analytical Methods: >99.0%
1072709-32-0 / 5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole | MFCD22572261 | 5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Basic Information
CAS
1072709-32-0
Multi CAS
No
Molecular Formula
C15H25BN2O3
Molecular Weight
292.180000
Exact Mass
292.195823
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C3CCCCO3)C
InChI
InChI=1S/C15H25BN2O3/c1-11-12(16-20-14(2,3)15(4,5)21-16)10-17-18(11)13-8-6-7-9-19-13/h10,13H,6-9H2,1-5H3
InChIKey
MXZCKXSXFGKVKB-UHFFFAOYSA-N
Synonyms
5-methyl-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
MFCD22572261
5-methyl-1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SCHEMBL3401227
MXZCKXSXFGKVKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
81.52
TPSA
45.51
LogP / Solubility
WLOGP
2.19
MLOGP
1.94
XLogP3
2.19
Consensus LogP
2.11
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
1-Allyl-3-vinyliMidazoliuM broMide
- CAS RN: 1072788-73-8
- Product Code: starshine_CAS1072788-73-8
- Purity/Analytical method: >99.0%
-
Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester
- CAS RN: 1072792-33-6
- Product Code: starshine_CAS1072792-33-6
- Purity/Analytical method: >99.0%
-
tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate
- CAS RN: 1072793-83-9
- Product Code: SSC-008734
-
Carasinol D
- CAS RN: 1072797-66-0
- Product Code: starshine_CAS1072797-66-0
- Purity/Analytical method: >99.0%
-
-
(1,3-BENZOXAZOL-2-YLMETHYL)AMINE HYDROCHLORIDE
- CAS RN: 1072806-65-5
- Product Code: SSC-008736
![CAS 1072792-33-6 Carbamic acid, N-[(2R)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072792-33-6.gif)
![CAS 1072793-83-9 tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1072793-83-9.gif)
