Cochliobolic Acid
TL;DR: Cochliobolic Acid (CAS 185846-15-5) is a chemical compound with molecular formula C25H30O6 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Cochliobolic Acid
(2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid
Also Known As: Cochliobolic acid, (2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid, 2-Furancarboxylic acid, tetrahydro-3-hydroxy-5-(17-methyl-13,14-dioxo-1,3,5,7,9,11,15-nonadecaheptaenyl)-, (2alpha,3beta,5alpha(1E,3E,5E,7E,9E,11E,15E))-(partial)-, (2R,3R,5S)-3-hydroxy-5-((1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl)oxolane-2-carboxylic acid, 3-hydroxy-5-((1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl)oxolane-2-carboxylic acid
| Molecular Formula | C25H30O6 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 3.6671 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.20422 |
| Heavy Atoms | 31 |
| Complexity | 809.86884 |
Chemical Identifiers
| CAS Number | 185846-15-5 |
|---|---|
| SMILES | CCC(C)/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]1C[C@H]([C@@H](O1)C(=O)O)O |
Product Overview
Cochliobolic Acid (CAS 185846-15-5), with molecular formula C25H30O6 and molecular weight 426.20 g/mol. IUPAC: (2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaenyl]oxolane-2-carboxylic acid.
Chemical Property Profile of Cochliobolic Acid
Property Insights of Cochliobolic Acid
The XLogP value of 3.6671 indicates that Cochliobolic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cochliobolic Acid. Following Lipinski's Rule of Five, Cochliobolic Acid has 2 hydrogen bond donor(s) and 5 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 Cochliobolic Acid?
The CAS number of Cochliobolic Acid is 185846-15-5.
What is the molecular formula of Cochliobolic Acid?
The molecular formula of Cochliobolic Acid is C25H30O6.
What is the molecular weight of Cochliobolic Acid?
The molecular weight of Cochliobolic Acid is 426.20 g/mol.
Where can I buy Cochliobolic Acid?
You can request a quote for Cochliobolic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cochliobolic Acid?
Yes, KEHONG BIO provides custom synthesis services for Cochliobolic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.