Hecolic acid
TL;DR: Hecolic acid (CAS 6875-62-3) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid
Also Known As: HECOLIC ACID, 2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid, [6-Hydroxy-8a-methyl-2-(3,4,5'-trimethyl-3,3a,6,6a-tetrahydrospiro[cyclopenta[b]furan-2,2'-oxan]-5-yl)decahydronaphthalen-1-yl]acetic acid
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 6875-62-3 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC(=C3C)C4CCC5CC(CCC5(C4CC(=O)O)C)O)C)OC1 |
| InChIKey | NZWMGLZRGPLUOW-UHFFFAOYSA-N |
Product Overview
Hecolic acid (CAS 6875-62-3), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: 2-[6-hydroxy-8a-methyl-2-(3,4,5'-trimethylspiro[3,3a,6,6a-tetrahydrocyclopenta[b]furan-2,2'-oxane]-5-yl)-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]acetic acid.
Chemical Property Profile of Hecolic acid
Property Insights of Hecolic acid
The XLogP value of 4.0 indicates that Hecolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hecolic acid. Following Lipinski's Rule of Five, Hecolic 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 Hecolic acid?
The CAS number of Hecolic acid is 6875-62-3.
What is the molecular formula of Hecolic acid?
The molecular formula of Hecolic acid is C27H42O5.
What is the molecular weight of Hecolic acid?
The molecular weight of Hecolic acid is 446.30 g/mol.
Where can I buy Hecolic acid?
You can request a quote for Hecolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hecolic acid?
Yes, KEHONG BIO provides custom synthesis services for Hecolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.