![CAS 906673-38-9 1,3-Dihydro-1-hydroxy-6-[(4-methoxyphenyl)thio]-2,1-benzoxaborole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/906673-38-9.gif)
CAS RN: 906673-38-9
1,3-Dihydro-1-hydroxy-6-[(4-methoxyphenyl)thio]-2,1-benzoxaborole
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.20251011 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS906673-38-9
- Purity/Analytical Methods: >99.0%
906673-38-9 / 1-hydroxy-6-(4-methoxyphenyl)sulfanyl-3H-2,1-benzoxaborole
Basic Information
CAS
906673-38-9
Multi CAS
No
Molecular Formula
BC14H13O3S
Molecular Weight
272.100000
Exact Mass
272.067846
InChI
InChI=1S/C14H13BO3S/c1-17-11-3-6-12(7-4-11)19-13-5-2-10-9-18-15(16)14(10)8-13/h2-8,16H,9H2,1H3
InChIKey
JEILWIPPHXIUER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.95
TPSA
38.69
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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