Methyl 6-nitro-1,2-benzoxazole-3-carboxylate
TL;DR: Methyl 6-nitro-1,2-benzoxazole-3-carboxylate (CAS 6313-42-4) is a chemical compound with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-nitro-1,2-benzoxazole-3-carboxylate
Also Known As: methyl 6-nitro-1,2-benzoxazole-3-carboxylate, Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate, methyl 6-nitro-1,2-benzisoxazole-3-carboxylate, BEN175, 1G-437S
| Molecular Formula | C9H6N2O5 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02766 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 6313-42-4 |
|---|---|
| SMILES | COC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-] |
| InChIKey | RDAMDINPNCIMJD-UHFFFAOYSA-N |
Product Overview
Methyl 6-nitro-1,2-benzoxazole-3-carboxylate (CAS 6313-42-4), with molecular formula C9H6N2O5 and molecular weight 222.03 g/mol. IUPAC: methyl 6-nitro-1,2-benzoxazole-3-carboxylate.
Chemical Property Profile of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate
Property Insights of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-nitro-1,2-benzoxazole-3-carboxylate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-nitro-1,2-benzoxazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-nitro-1,2-benzoxazole-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 6-nitro-1,2-benzoxazole-3-carboxylate?
The CAS number of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate is 6313-42-4.
What is the molecular formula of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate?
The molecular formula of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate is C9H6N2O5.
What is the molecular weight of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate?
The molecular weight of Methyl 6-nitro-1,2-benzoxazole-3-carboxylate is 222.03 g/mol.
Where can I buy Methyl 6-nitro-1,2-benzoxazole-3-carboxylate?
You can request a quote for Methyl 6-nitro-1,2-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 6-nitro-1,2-benzoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-nitro-1,2-benzoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.