Convolvulanic acid B
TL;DR: Convolvulanic acid B (CAS 479-14-1) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid
Also Known As: Convolvulanic acid B, Convolvulol 1 -carboxylic acid, J2.380.509J, 1,3-Dihydro-7-methoxy-6-methoxy-1-oxo-4-isobenzofurancarboxylic acid, 4-Isobenzofurancarboxylic acid, 1,3-dihydro-7-methoxy-6-methoxy-1-oxo-
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.37222 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 489.63855 |
Chemical Identifiers
| CAS Number | 479-14-1 |
|---|---|
| SMILES | CC1=CC(=C2COC(=O)C2=C1OC)C(=O)O |
Product Overview
Convolvulanic acid B (CAS 479-14-1), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: 7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carboxylic acid.
Chemical Property Profile of Convolvulanic acid B
Property Insights of Convolvulanic acid B
The XLogP value of 1.37222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Convolvulanic acid B. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Convolvulanic acid B. Following Lipinski's Rule of Five, Convolvulanic acid B has 1 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 Convolvulanic acid B?
The CAS number of Convolvulanic acid B is 479-14-1.
What is the molecular formula of Convolvulanic acid B?
The molecular formula of Convolvulanic acid B is C11H10O5.
What is the molecular weight of Convolvulanic acid B?
The molecular weight of Convolvulanic acid B is 222.05 g/mol.
Where can I buy Convolvulanic acid B?
You can request a quote for Convolvulanic acid B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Convolvulanic acid B?
Yes, KEHONG BIO provides custom synthesis services for Convolvulanic acid B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.