17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate
TL;DR: 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate (CAS 1104-99-0) is a chemical compound with molecular formula C25H36O4 and molecular weight 400.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-methoxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3-Methoxy-6-methyl-17, 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate, 3-methoxy-6-methyl-20-oxopregna-3,5-dien-17-yl acetate, 17-(Acetyloxy)-3-methoxy-6-methylpregna-3,5-dien-20-one, 3-methoxy-6-methyl-20-oxopregna-3,5-dien-17-ylacetate
| Molecular Formula | C25H36O4 |
|---|---|
| Molecular Weight | 400.26 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.26135 |
| Heavy Atoms | 29 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 1104-99-0 |
|---|---|
| SMILES | CC1=C2C=C(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@]4(C(=O)C)OC(=O)C)C)C)OC |
| InChIKey | VFQNBCVPIGXTFD-HYRPPVSQSA-N |
Product Overview
17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate (CAS 1104-99-0), with molecular formula C25H36O4 and molecular weight 400.26 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-3-methoxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate
Property Insights of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate
The XLogP value of 4.1 indicates that 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate has 0 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 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate?
The CAS number of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate is 1104-99-0.
What is the molecular formula of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate?
The molecular formula of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate is C25H36O4.
What is the molecular weight of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate?
The molecular weight of 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate is 400.26 g/mol.
Where can I buy 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate?
You can request a quote for 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate?
Yes, KEHONG BIO provides custom synthesis services for 17-Hydroxy-3-methoxy-6-methylpregna-3,5-dien-20-one acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.