1,5-dimethyl-bicyclo<3.3.0>octandion
TL;DR: 1,5-dimethyl-bicyclo<3.3.0>octandion (CAS 21170-27-4) is a chemical compound with molecular formula C27H34N4O2S and molecular weight 478.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 1,5-dimethyl-bicyclo<3.3.0>octandion, NCI60_000214, 21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione, 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one, 21-(6-(methylthio)-9H-purin-9-yl)pregn-4-ene-3,20-dione
| Molecular Formula | C27H34N4O2S |
|---|---|
| Molecular Weight | 478.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.24023 |
| Heavy Atoms | 34 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 21170-27-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C |
| InChIKey | ROIIRSXXBFLNGZ-UHFFFAOYSA-N |
Product Overview
1,5-dimethyl-bicyclo<3.3.0>octandion (CAS 21170-27-4), with molecular formula C27H34N4O2S and molecular weight 478.24 g/mol. IUPAC: 10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 1,5-dimethyl-bicyclo<3.3.0>octandion
Property Insights of 1,5-dimethyl-bicyclo<3.3.0>octandion
The XLogP value of 4.3 indicates that 1,5-dimethyl-bicyclo<3.3.0>octandion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-dimethyl-bicyclo<3.3.0>octandion. Following Lipinski's Rule of Five, 1,5-dimethyl-bicyclo<3.3.0>octandion has 0 hydrogen bond donor(s) and 6 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 1,5-dimethyl-bicyclo<3.3.0>octandion?
The CAS number of 1,5-dimethyl-bicyclo<3.3.0>octandion is 21170-27-4.
What is the molecular formula of 1,5-dimethyl-bicyclo<3.3.0>octandion?
The molecular formula of 1,5-dimethyl-bicyclo<3.3.0>octandion is C27H34N4O2S.
What is the molecular weight of 1,5-dimethyl-bicyclo<3.3.0>octandion?
The molecular weight of 1,5-dimethyl-bicyclo<3.3.0>octandion is 478.24 g/mol.
Where can I buy 1,5-dimethyl-bicyclo<3.3.0>octandion?
You can request a quote for 1,5-dimethyl-bicyclo<3.3.0>octandion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-dimethyl-bicyclo<3.3.0>octandion?
Yes, KEHONG BIO provides custom synthesis services for 1,5-dimethyl-bicyclo<3.3.0>octandion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.