Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate
TL;DR: Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate (CAS 60432-40-8) is a chemical compound with molecular formula C12H9NO6 and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-carbamoyloxy-2-oxochromene-6-carboxylate
Also Known As: methyl 7-carbamoyloxy-2-oxochromene-6-carboxylate, methyl 7-carbamoyloxy-2-oxo-chromene-6-carboxylate, Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate
| Molecular Formula | C12H9NO6 |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.043 |
| Heavy Atoms | 19 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 60432-40-8 |
|---|---|
| SMILES | COC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC(=O)N |
| InChIKey | GAYYJCHFHXFYMN-UHFFFAOYSA-N |
Product Overview
Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate (CAS 60432-40-8), with molecular formula C12H9NO6 and molecular weight 263.04 g/mol. IUPAC: methyl 7-carbamoyloxy-2-oxochromene-6-carboxylate.
Chemical Property Profile of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate
Property Insights of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate. Following Lipinski's Rule of Five, Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate has 1 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 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate?
The CAS number of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate is 60432-40-8.
What is the molecular formula of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate?
The molecular formula of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate is C12H9NO6.
What is the molecular weight of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate?
The molecular weight of Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate is 263.04 g/mol.
Where can I buy Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate?
You can request a quote for Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-(carbamoyloxy)-2-oxo-2H-1-benzopyran-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.