Gratiogenin
TL;DR: Gratiogenin (CAS 7067-16-5) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9R,10R,13R,14S,17S)-3-hydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Also Known As: Gratiogenin, Gratiogenin [MI], 2,19,20-Trihydroxy-delta12,13-beta-amyren-21-one, (3S,8S,9R,10R,13R,14S,17S)-3-hydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one, (3beta,9beta,10alpha,24S)-20,24-Epoxy-3,25-dihydroxy-9-methyl-19-norlanost-5-en-11-one
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 919.0 |
Chemical Identifiers
| CAS Number | 7067-16-5 |
|---|---|
| SMILES | C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O)C)C)C |
| InChIKey | DJFUSGZOFOKWFY-HVNJZMCDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gratiogenin (CAS 7067-16-5), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (3S,8S,9R,10R,13R,14S,17S)-3-hydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Gratiogenin
Property Insights of Gratiogenin
The XLogP value of 4.7 indicates that Gratiogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Gratiogenin. Following Lipinski's Rule of Five, Gratiogenin 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 Gratiogenin?
The CAS number of Gratiogenin is 7067-16-5.
What is the molecular formula of Gratiogenin?
The molecular formula of Gratiogenin is C30H48O4.
What is the molecular weight of Gratiogenin?
The molecular weight of Gratiogenin is 472.36 g/mol.
Where can I buy Gratiogenin?
You can request a quote for Gratiogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gratiogenin?
Yes, KEHONG BIO provides custom synthesis services for Gratiogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.