CAS RN: 960589-15-5
(3-CYANO-5-METHOXYPHENYL)BORONIC ACID
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.20251208 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS960589-15-5
- Purity/Analytical Methods: >99.0%
960589-15-5 / (3-cyano-5-methoxyphenyl)boronic acid
Basic Information
CAS
960589-15-5
Multi CAS
No
Molecular Formula
BC8H8NO3
Molecular Weight
176.970000
Exact Mass
177.059723
InChI
InChI=1S/C8H8BNO3/c1-13-8-3-6(5-10)2-7(4-8)9(11)12/h2-4,11-12H,1H3
InChIKey
RTJLDFQTCJMOOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.53
TPSA
73.48
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.67
XLogP3
-0.75
Consensus LogP
-0.72
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
ent-17-Hydroxykauran-3-one
- CAS RN: 960589-81-5
- Product Code: starshine_CAS960589-81-5
- Purity/Analytical method: >99.0%
-
-
1,1-diphenyl-2,2-di[4-(4-phenylphenyl)pyridine]ethylene
- CAS RN: 1839090-56-0
- Product Code: starshine_CAS1839090-56-0
- Purity/Analytical method: >99.0%
-
-
BENZYL 3-AMINOPIPERIDINE-1-CARBOXYLATE HYDROCHLORIDE
- CAS RN: 960541-42-8
- Product Code: SSC-211882
-
[(1,3-Dicyclohexyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carbonyl)-amino]-acetic acid ethyl ester
- CAS RN: 960540-96-9
- Product Code: SSC-211881
![CAS 960613-96-1 3-BROMO-5-CHLOROPYRAZOLO[1,5-A]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/960613-96-1.gif)
![CAS 1839090-56-0 1,1-diphenyl-2,2-di[4-(4-phenylphenyl)pyridine]ethylene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1839090-56-0gaide.png)
![CAS 960540-96-9 [(1,3-Dicyclohexyl-2,4,6-trioxo-hexahydro-pyrimidine-5-carbonyl)-amino]-acetic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/960540-96-9.gif)