CAS RN: 947163-26-0
2,1-Benzoxaborole,1,3-dihydro-1-hydroxy-6-Methoxy
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.20250803 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS947163-26-0
- Purity/Analytical Methods: >99.0%
947163-26-0 / 1-hydroxy-6-methoxy-3H-2,1-benzoxaborole
Basic Information
CAS
947163-26-0
Multi CAS
No
Molecular Formula
BC8H9O3
Molecular Weight
163.970000
Exact Mass
164.064474
InChI
InChI=1S/C8H9BO3/c1-11-7-3-2-6-5-12-9(10)8(6)4-7/h2-4,10H,5H2,1H3
InChIKey
GAGAFKOBUXAXBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.39
TPSA
38.69
LogP / Solubility
WLOGP
-0.09
MLOGP
-0.08
XLogP3
-0.09
Consensus LogP
-0.09
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.78
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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