![CAS 1285533-08-5 4-aminobenzo[c][1,2]oxaborol-1(3H)-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1285533-08-5.gif)
CAS RN: 1285533-08-5
4-aminobenzo[c][1,2]oxaborol-1(3H)-ol
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-035788
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1285533-08-5 / 1-hydroxy-3H-2,1-benzoxaborol-4-amine
Basic Information
CAS
1285533-08-5
Multi CAS
No
Molecular Formula
C7H8BNO2
Molecular Weight
148.960000
Exact Mass
149.064809
SMILES
B1(C2=C(CO1)C(=CC=C2)N)O
InChI
InChI=1S/C7H8BNO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4,9H2
InChIKey
CHJIWOQDMNIQCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.25
TPSA
55.48
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.46
XLogP3
-0.51
Consensus LogP
-0.49
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-3.99
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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