![11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione structure](/static/products/2117/21170-29-6.webp)
11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione
TL;DR: 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione (CAS 21170-29-6) is a chemical compound with molecular formula C27H34N4O4S and molecular weight 510.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,17-dihydroxy-10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 11,17-dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione, 21-(4'-methoxyphenylazo)-1,4,7,14,23-pentaoxa<7.2.2>orthometaorthobenzenophane, Pregn-4-ene-3,20-dione, 11., A.,17-dihydroxy-21-[6-(methylthio)-9H-purin-9-yl]-, Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-[6-(methylthio)-9H-purin-9-yl]-, (11b)-
| Molecular Formula | C27H34N4O4S |
|---|---|
| Molecular Weight | 510.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.23007 |
| Heavy Atoms | 36 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 21170-29-6 |
|---|---|
| SMILES | CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CN5C=NC6=C5N=CN=C6SC)O)C)O |
| InChIKey | OEKQHFGELGITAE-UHFFFAOYSA-N |
Product Overview
11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione (CAS 21170-29-6), with molecular formula C27H34N4O4S and molecular weight 510.23 g/mol. IUPAC: 11,17-dihydroxy-10,13-dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione
Property Insights of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione. The TPSA of 144.0 Ų indicates high polarity, suggesting 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione?
The CAS number of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione is 21170-29-6.
What is the molecular formula of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione?
The molecular formula of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione is C27H34N4O4S.
What is the molecular weight of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione?
The molecular weight of 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione is 510.23 g/mol.
Where can I buy 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione?
You can request a quote for 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 11,17-Dihydroxy-21-[6-(methylsulfanyl)-9h-purin-9-yl]pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.