Heptelidic acid
TL;DR: Heptelidic acid (CAS 57710-57-3) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Heptelidic acid
(5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
Also Known As: Heptelidic acid, Avocettin, Koningic acid, (5as,9s,9as)-1-oxo-6-(propan-2-yl)-1,5a,6,7,8,9a-hexahydro-3h-spiro[2-benzoxepine-9,2'-oxirane]-4-carboxylic acid, (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 57710-57-3 |
|---|---|
| SMILES | CC(C)C1CC[C@@]2(CO2)[C@@H]3[C@@H]1C=C(COC3=O)C(=O)O |
| InChIKey | JESMSCGUTIEROV-NOFREYILSA-N |
Product Overview
Heptelidic acid (CAS 57710-57-3), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: (5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid.
Chemical Property Profile of Heptelidic acid
Property Insights of Heptelidic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptelidic acid. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptelidic acid. Following Lipinski's Rule of Five, Heptelidic acid has 1 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 Heptelidic acid?
The CAS number of Heptelidic acid is 57710-57-3.
What is the molecular formula of Heptelidic acid?
The molecular formula of Heptelidic acid is C15H20O5.
What is the molecular weight of Heptelidic acid?
The molecular weight of Heptelidic acid is 280.13 g/mol.
Where can I buy Heptelidic acid?
You can request a quote for Heptelidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptelidic acid?
Yes, KEHONG BIO provides custom synthesis services for Heptelidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.