5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one
TL;DR: 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one (CAS 81117-80-8) is a chemical compound with molecular formula C7H5ClN2O2 and molecular weight 184.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-chloro-3H-1,3-benzoxazol-2-one
Also Known As: 5-amino-6-chloro-3H-1,3-benzoxazol-2-one, 5-amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one, 5-Amino-6-chlorobenzo[d]oxazol-2(3H)-one, 5-Amino-6-chloro-1,3-benzoxazol-2(3H)-one
| Molecular Formula | C7H5ClN2O2 |
|---|---|
| Molecular Weight | 184.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.00395 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 81117-80-8 |
|---|---|
| SMILES | C1=C(C(=CC2=C1NC(=O)O2)Cl)N |
| InChIKey | GWMSBABWKBFZCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one (CAS 81117-80-8), with molecular formula C7H5ClN2O2 and molecular weight 184.00 g/mol. IUPAC: 5-amino-6-chloro-3H-1,3-benzoxazol-2-one.
Chemical Property Profile of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one
Property Insights of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one. Following Lipinski's Rule of Five, 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one has 2 hydrogen bond donor(s) and 3 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 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one?
The CAS number of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one is 81117-80-8.
What is the molecular formula of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular formula of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one is C7H5ClN2O2.
What is the molecular weight of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one?
The molecular weight of 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one is 184.00 g/mol.
Where can I buy 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one?
You can request a quote for 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.