Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate
TL;DR: Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate (CAS 99067-54-6) is a chemical compound with molecular formula C9H7ClN2O3 and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(5-chloro-1,3-benzoxazol-2-yl)carbamate
Also Known As: methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate, methyl N-(5-chloro-1,3-benzoxazol-2-yl)carbamate
| Molecular Formula | C9H7ClN2O3 |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | 2.6595 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.01453 |
| Heavy Atoms | 15 |
| Complexity | 509.0268 |
Chemical Identifiers
| CAS Number | 99067-54-6 |
|---|---|
| SMILES | COC(=O)NC1=NC2=C(O1)C=CC(=C2)Cl |
Product Overview
Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate (CAS 99067-54-6), with molecular formula C9H7ClN2O3 and molecular weight 226.01 g/mol. IUPAC: methyl N-(5-chloro-1,3-benzoxazol-2-yl)carbamate.
Chemical Property Profile of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate
Property Insights of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate
The XLogP value of 2.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate. Following Lipinski's Rule of Five, Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate has 1 hydrogen bond donor(s) and 4 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 Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate?
The CAS number of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate is 99067-54-6.
What is the molecular formula of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate?
The molecular formula of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate is C9H7ClN2O3.
What is the molecular weight of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate?
The molecular weight of Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate is 226.01 g/mol.
Where can I buy Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate?
You can request a quote for Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-1,3-benzoxazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.