Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-
TL;DR: Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- (CAS 90509-06-1) is a chemical compound with molecular formula C28H42O4 and molecular weight 442.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
Also Known As: 3-hydroxy-6-methyl-20-oxopregna-4,6-dien-17-yl hexanoate, 3beta-Hydroxy-6-methyl-20-oxopregna-4,6-dien-17-yl hexanoate, Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-, [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate
| Molecular Formula | C28H42O4 |
|---|---|
| Molecular Weight | 442.31 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.30832 |
| Heavy Atoms | 32 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 90509-06-1 |
|---|---|
| SMILES | CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)C)C)C(=O)C |
| InChIKey | GODCGUYMQPRACL-NAEKRLSBSA-N |
Product Overview
Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- (CAS 90509-06-1), with molecular formula C28H42O4 and molecular weight 442.31 g/mol. IUPAC: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] hexanoate.
Chemical Property Profile of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-
Property Insights of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-
The XLogP value of 5.1 indicates that Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-. Following Lipinski's Rule of Five, Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- has 1 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 Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-?
The CAS number of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- is 90509-06-1.
What is the molecular formula of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-?
The molecular formula of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- is C28H42O4.
What is the molecular weight of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-?
The molecular weight of Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- is 442.31 g/mol.
Where can I buy Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-?
You can request a quote for Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Pregna-4,6-dien-20-one, 3-hydroxy-6-methyl-17-((1-oxohexyl)oxy)-, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.