CAS RN: 92203-40-2
3-Methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-205756
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
92203-40-2 / 1-hydroxy-3-methyl-3H-2,1-benzoxaborole
Basic Information
CAS
92203-40-2
Multi CAS
No
Molecular Formula
BC8H9O2
Molecular Weight
147.970000
Exact Mass
148.069560
InChI
InChI=1S/C8H9BO2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h2-6,10H,1H3
InChIKey
DVPUTGGBBYKMSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.55
TPSA
29.46
LogP / Solubility
WLOGP
0.47
MLOGP
0.4
XLogP3
0.47
Consensus LogP
0.45
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
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)
-3.29
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
2
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