6-Chloro-3-hydroxy-1,2-benzisoxazole
TL;DR: 6-Chloro-3-hydroxy-1,2-benzisoxazole (CAS 61977-29-5) is a chemical compound with molecular formula C7H4ClNO2 and molecular weight 168.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-1,2-benzoxazol-3-one
Also Known As: 6-chlorobenzo[d]isoxazol-3-ol, CBIO, 6-Chloro-1,2-benzisoxazol-3-ol, 6-chloro-1,2-benzoxazol-3-ol, 6-chloro-1,2-benzoxazol-3-one
| Molecular Formula | C7H4ClNO2 |
|---|---|
| Molecular Weight | 168.99 g/mol |
| LogP | 1.7745 |
| Topological Polar Surface Area | 46.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.99306 |
| Heavy Atoms | 11 |
| Complexity | 442.88245 |
Chemical Identifiers
| CAS Number | 61977-29-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)ONC2=O |
Product Overview
6-Chloro-3-hydroxy-1,2-benzisoxazole (CAS 61977-29-5), with molecular formula C7H4ClNO2 and molecular weight 168.99 g/mol. IUPAC: 6-chloro-1,2-benzoxazol-3-one.
Chemical Property Profile of 6-Chloro-3-hydroxy-1,2-benzisoxazole
Property Insights of 6-Chloro-3-hydroxy-1,2-benzisoxazole
The XLogP value of 1.7745 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-hydroxy-1,2-benzisoxazole. With a topological polar surface area (TPSA) of 46.0 Ų, 6-Chloro-3-hydroxy-1,2-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-hydroxy-1,2-benzisoxazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloro-3-hydroxy-1,2-benzisoxazole?
The CAS number of 6-Chloro-3-hydroxy-1,2-benzisoxazole is 61977-29-5.
What is the molecular formula of 6-Chloro-3-hydroxy-1,2-benzisoxazole?
The molecular formula of 6-Chloro-3-hydroxy-1,2-benzisoxazole is C7H4ClNO2.
What is the molecular weight of 6-Chloro-3-hydroxy-1,2-benzisoxazole?
The molecular weight of 6-Chloro-3-hydroxy-1,2-benzisoxazole is 168.99 g/mol.
Where can I buy 6-Chloro-3-hydroxy-1,2-benzisoxazole?
You can request a quote for 6-Chloro-3-hydroxy-1,2-benzisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-hydroxy-1,2-benzisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-hydroxy-1,2-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.