![3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one structure](/static/products/2287/22879-66-9.webp)
3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
TL;DR: 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 22879-66-9) is a chemical compound with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 3-Methoxy-16-[(5H-purin-6-yl)sulfanyl]estra-1,3,5(10)-trien-17-one
| Molecular Formula | C24H26N4O2S |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.17764 |
| Heavy Atoms | 31 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 22879-66-9 |
|---|---|
| SMILES | CC12CCC3C(C1CC(C2=O)SC4=NC=NC5=NC=NC54)CCC6=C3C=CC(=C6)OC |
| InChIKey | QZMSWUFDKBBFFW-UHFFFAOYSA-N |
Product Overview
3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 22879-66-9), with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol. IUPAC: 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Property Insights of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
The XLogP value of 4.0 indicates that 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. Following Lipinski's Rule of Five, 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 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 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The CAS number of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 22879-66-9.
What is the molecular formula of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The molecular formula of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is C24H26N4O2S.
What is the molecular weight of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
The molecular weight of 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one is 434.18 g/mol.
Where can I buy 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
You can request a quote for 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-13-methyl-16-(5H-purin-6-ylsulfanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.