Homo-3beta-hydroxycard-5,22-dienolide
TL;DR: Homo-3beta-hydroxycard-5,22-dienolide (CAS 77698-97-6) is a chemical compound with molecular formula C24H34O4 and molecular weight 386.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,8S,11R,12S,15R,16S,18E)-8-hydroxy-18-(hydroxymethyl)-11,15-dimethyl-21-oxapentacyclo[14.5.1.02,15.03,12.06,11]docosa-5,18-dien-20-one
Also Known As: Homo-3beta-hydroxycard-5,22-dienolide, 4'-(3beta-Hydroxyandrost-5-en-17beta-yl)methyl-2'(5')-furanone, (2R,3R,8S,11R,12S,15R,16S,18E)-8-hydroxy-18-(hydroxymethyl)-11,15-dimethyl-21-oxapentacyclo[14.5.1.02,15.03,12.06,11]docosa-5,18-dien-20-one, 21-Norchola-5,22-dien-24-oic acid, 3-hydroxy-22-(hydroxymethyl)-, gamma-lactone, (3beta,14beta)-
| Molecular Formula | C24H34O4 |
|---|---|
| Molecular Weight | 386.25 g/mol |
| LogP | 3.7704 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.2457 |
| Heavy Atoms | 28 |
| Complexity | 738.8872 |
Chemical Identifiers
| CAS Number | 77698-97-6 |
|---|---|
| SMILES | C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3C5C[C@@H]4C/C(=C\C(=O)O5)/CO)C)O |
Product Overview
Homo-3beta-hydroxycard-5,22-dienolide (CAS 77698-97-6), with molecular formula C24H34O4 and molecular weight 386.25 g/mol. IUPAC: (2R,3R,8S,11R,12S,15R,16S,18E)-8-hydroxy-18-(hydroxymethyl)-11,15-dimethyl-21-oxapentacyclo[14.5.1.02,15.03,12.06,11]docosa-5,18-dien-20-one.
Chemical Property Profile of Homo-3beta-hydroxycard-5,22-dienolide
Property Insights of Homo-3beta-hydroxycard-5,22-dienolide
The XLogP value of 3.7704 indicates that Homo-3beta-hydroxycard-5,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Homo-3beta-hydroxycard-5,22-dienolide. Following Lipinski's Rule of Five, Homo-3beta-hydroxycard-5,22-dienolide has 2 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 Homo-3beta-hydroxycard-5,22-dienolide?
The CAS number of Homo-3beta-hydroxycard-5,22-dienolide is 77698-97-6.
What is the molecular formula of Homo-3beta-hydroxycard-5,22-dienolide?
The molecular formula of Homo-3beta-hydroxycard-5,22-dienolide is C24H34O4.
What is the molecular weight of Homo-3beta-hydroxycard-5,22-dienolide?
The molecular weight of Homo-3beta-hydroxycard-5,22-dienolide is 386.25 g/mol.
Where can I buy Homo-3beta-hydroxycard-5,22-dienolide?
You can request a quote for Homo-3beta-hydroxycard-5,22-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homo-3beta-hydroxycard-5,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for Homo-3beta-hydroxycard-5,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.