6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester
TL;DR: 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester (CAS 67801-59-6) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 6-oxobenzo[c]chromene-4,8-dicarboxylate
Also Known As: Dimethyl 6-oxo-6H-dibenzopyran-4,8-dicarboxylate, Dimethyl 6-oxo-6H-dibenzo[b,d]pyran-4,8-dicarboxylate, 6H-Dibenzo[b,d]pyran-4,8-dicarboxylic acid, 6-oxo-, dimethyl ester, dimethyl 6-oxobenzo[c]chromene-4,8-dicarboxylate, 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, dimethyl ester
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 67801-59-6 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C3=C(C(=CC=C3)C(=O)OC)OC2=O |
| InChIKey | YNIKZBLWNYWZRB-UHFFFAOYSA-N |
Product Overview
6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester (CAS 67801-59-6), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: dimethyl 6-oxobenzo[c]chromene-4,8-dicarboxylate.
Chemical Property Profile of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester
Property Insights of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester. Following Lipinski's Rule of Five, 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester 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 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester?
The CAS number of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester is 67801-59-6.
What is the molecular formula of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester?
The molecular formula of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester is C17H12O6.
What is the molecular weight of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester?
The molecular weight of 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester is 312.06 g/mol.
Where can I buy 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester?
You can request a quote for 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6H-Dibenzo(b,d)pyran-4,8-dicarboxylic acid, 6-oxo-, 4,8-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.