![CAS 956006-93-2 B-[4-(1-HYDROXYCYCLOPROPYL)PHENYL]-BORONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956006-93-2.gif)
CAS RN: 956006-93-2
B-[4-(1-HYDROXYCYCLOPROPYL)PHENYL]-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.20260313 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS956006-93-2
- Purity/Analytical Methods: >99.0%
956006-93-2 / [4-(1-hydroxycyclopropyl)phenyl]boronic acid
Basic Information
CAS
956006-93-2
Multi CAS
No
Molecular Formula
BC9H11O3
Molecular Weight
177.990000
Exact Mass
178.080124
InChI
InChI=1S/C9H11BO3/c11-9(5-6-9)7-1-3-8(4-2-7)10(12)13/h1-4,11-13H,5-6H2
InChIKey
BTPVGADBNJZEHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
49.4
TPSA
60.69
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.58
XLogP3
-0.65
Consensus LogP
-0.63
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.27
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
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