Methyl 5-chloro-2,1-benzoxazole-3-carboxylate
TL;DR: Methyl 5-chloro-2,1-benzoxazole-3-carboxylate (CAS 72744-03-7) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-2,1-benzoxazole-3-carboxylate
Also Known As: methyl 5-chloro-2,1-benzoxazole-3-carboxylate, RefChem:356041
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 72744-03-7 |
|---|---|
| SMILES | COC(=O)C1=C2C=C(C=CC2=NO1)Cl |
| InChIKey | YONIEDKNVXPSTD-UHFFFAOYSA-N |
Product Overview
Methyl 5-chloro-2,1-benzoxazole-3-carboxylate (CAS 72744-03-7), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: methyl 5-chloro-2,1-benzoxazole-3-carboxylate.
Chemical Property Profile of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate
Property Insights of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-chloro-2,1-benzoxazole-3-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 5-chloro-2,1-benzoxazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-chloro-2,1-benzoxazole-3-carboxylate has 0 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-2,1-benzoxazole-3-carboxylate?
The CAS number of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate is 72744-03-7.
What is the molecular formula of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate?
The molecular formula of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate is C9H6ClNO3.
What is the molecular weight of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate?
The molecular weight of Methyl 5-chloro-2,1-benzoxazole-3-carboxylate is 211.00 g/mol.
Where can I buy Methyl 5-chloro-2,1-benzoxazole-3-carboxylate?
You can request a quote for Methyl 5-chloro-2,1-benzoxazole-3-carboxylate 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-2,1-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-chloro-2,1-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.