![4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester structure](/static/products/835/83572-91-2.png)
4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester
TL;DR: 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester (CAS 83572-91-2) is a chemical compound with molecular formula C22H26O7 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (6Z)-8-hydroxy-15-methoxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6,11-triene-12-carboxylate
Also Known As: 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester, 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester, (2R*,3S*,6Z,8S*,9R*,15R*)-, Methyl 6-hydroxy-1~3~-methoxy-1~5~-oxo-2,5-di(prop-1-en-2-yl)-3(2,5)-furana-1(2,4)-oxolanacycloheptaphan-7-ene-3~4~-carboxylate
| Molecular Formula | C22H26O7 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 2.702 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.16785 |
| Heavy Atoms | 29 |
| Complexity | 890.97217 |
Chemical Identifiers
| CAS Number | 83572-91-2 |
|---|---|
| SMILES | CC(=C)C1CC2=C(C=C(O2)C(C3C(/C(=C/C1O)/C(=O)O3)OC)C(=C)C)C(=O)OC |
Product Overview
4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester (CAS 83572-91-2), with molecular formula C22H26O7 and molecular weight 402.17 g/mol. IUPAC: methyl (6Z)-8-hydroxy-15-methoxy-5-oxo-2,9-bis(prop-1-en-2-yl)-4,14-dioxatricyclo[9.2.1.13,6]pentadeca-1(13),6,11-triene-12-carboxylate.
Chemical Property Profile of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester
Property Insights of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester
The XLogP value of 2.702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester. Following Lipinski's Rule of Five, 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester has 1 hydrogen bond donor(s) and 7 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 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester?
The CAS number of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester is 83572-91-2.
What is the molecular formula of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester?
The molecular formula of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester is C22H26O7.
What is the molecular weight of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester?
The molecular weight of 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester is 402.17 g/mol.
Where can I buy 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester?
You can request a quote for 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,6]pentadeca-6,11,13-triene-12-carboxylic acid, 8-hydroxy-15-methoxy-2,9-bis(1-methylethenyl)-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.