Vestalin
TL;DR: Vestalin (CAS 8064-75-3) is a chemical compound with molecular formula C40H52O4 and molecular weight 596.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Vestalin, Norgesterone mixture with ethinyl estradiol, Ethynylestradiol Mixture With Lynestrenol, (8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one; (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol, (8R,9S,13S,14S,17R)-17-Ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cy
| Molecular Formula | C40H52O4 |
|---|---|
| Molecular Weight | 596.39 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 596.38654 |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 8064-75-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=C3CCC(=O)C4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | JNZOKRGHUFPSQF-AQNHYYQESA-N |
Product Overview
Vestalin (CAS 8064-75-3), with molecular formula C40H52O4 and molecular weight 596.39 g/mol. IUPAC: (8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Vestalin
Property Insights of Vestalin
The XLogP value of 7.8 indicates that Vestalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vestalin. Following Lipinski's Rule of Five, Vestalin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vestalin?
The CAS number of Vestalin is 8064-75-3.
What is the molecular formula of Vestalin?
The molecular formula of Vestalin is C40H52O4.
What is the molecular weight of Vestalin?
The molecular weight of Vestalin is 596.39 g/mol.
Where can I buy Vestalin?
You can request a quote for Vestalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vestalin?
Yes, KEHONG BIO provides custom synthesis services for Vestalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.