Gynodian
TL;DR: Gynodian (CAS 81569-96-2) is a chemical compound with molecular formula C49H72O6 and molecular weight 756.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Also Known As: Gynodian, 3-Hydroxyestra-1(10),2,4-trien-17-yl pentanoate--17-oxoandrost-5-en-3-yl heptanoate (1/1), (8xi,9xi,14xi)-3-Hydroxyestra-1(10),2,4-trien-17beta-yl pentanoate--17-oxoandrost-5-en-3beta-yl heptanoate (1/1), [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate; [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate, [(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
| Molecular Formula | C49H72O6 |
|---|---|
| Molecular Weight | 756.53 g/mol |
| LogP | 11.7508 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 756.5329 |
| Heavy Atoms | 55 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 81569-96-2 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C.CCCCC(=O)O[C@H]1CCC2[C@@]1(CCC3C2CCC4=C3C=CC(=C4)O)C |
| InChIKey | GRXCBGGBHDQWSK-NDOFSHSBSA-N |
Product Overview
Gynodian (CAS 81569-96-2), with molecular formula C49H72O6 and molecular weight 756.53 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate;[(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate.
Chemical Property Profile of Gynodian
Property Insights of Gynodian
The XLogP value of 11.7508 indicates that Gynodian is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Gynodian. Following Lipinski's Rule of Five, Gynodian has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gynodian?
The CAS number of Gynodian is 81569-96-2.
What is the molecular formula of Gynodian?
The molecular formula of Gynodian is C49H72O6.
What is the molecular weight of Gynodian?
The molecular weight of Gynodian is 756.53 g/mol.
Where can I buy Gynodian?
You can request a quote for Gynodian directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gynodian?
Yes, KEHONG BIO provides custom synthesis services for Gynodian and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.