Acetyloxymethyl 2-oxochromene-3-carboxylate
TL;DR: Acetyloxymethyl 2-oxochromene-3-carboxylate (CAS 196091-77-7) is a chemical compound with molecular formula C13H10O6 and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl 2-oxochromene-3-carboxylate
Also Known As: 3-CCA-AM, Acetyloxymethyl 2-oxochromene-3-carboxylate, Coumarin-3-carboxylic acid acetoxymethyl ester, Acetoxymethyl 2-oxo-2H-chromene-3-carboxylate, (2-oxo-2H-chromene-3-carbonyloxy)methyl acetate
| Molecular Formula | C13H10O6 |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.4704 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.04773 |
| Heavy Atoms | 19 |
| Complexity | 684.8381 |
Chemical Identifiers
| CAS Number | 196091-77-7 |
|---|---|
| SMILES | CC(=O)OCOC(=O)C1=CC2=CC=CC=C2OC1=O |
Product Overview
Acetyloxymethyl 2-oxochromene-3-carboxylate (CAS 196091-77-7), with molecular formula C13H10O6 and molecular weight 262.05 g/mol. IUPAC: acetyloxymethyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of Acetyloxymethyl 2-oxochromene-3-carboxylate
Property Insights of Acetyloxymethyl 2-oxochromene-3-carboxylate
The XLogP value of 1.4704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyloxymethyl 2-oxochromene-3-carboxylate. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyloxymethyl 2-oxochromene-3-carboxylate. Following Lipinski's Rule of Five, Acetyloxymethyl 2-oxochromene-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 Acetyloxymethyl 2-oxochromene-3-carboxylate?
The CAS number of Acetyloxymethyl 2-oxochromene-3-carboxylate is 196091-77-7.
What is the molecular formula of Acetyloxymethyl 2-oxochromene-3-carboxylate?
The molecular formula of Acetyloxymethyl 2-oxochromene-3-carboxylate is C13H10O6.
What is the molecular weight of Acetyloxymethyl 2-oxochromene-3-carboxylate?
The molecular weight of Acetyloxymethyl 2-oxochromene-3-carboxylate is 262.05 g/mol.
Where can I buy Acetyloxymethyl 2-oxochromene-3-carboxylate?
You can request a quote for Acetyloxymethyl 2-oxochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyloxymethyl 2-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Acetyloxymethyl 2-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.