Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-
TL;DR: Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- (CAS 603-98-5) is a chemical compound with molecular formula C21H30O4 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 21-Deoxycortisol, 21-Deoxy Cortisol, 11beta,17alpha-Dihydroxyprogesterone, 11beta,17alpha-Dihydroxy-4-pregnene-3,20-dione, Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-
| Molecular Formula | C21H30O4 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.21442 |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 603-98-5 |
|---|---|
| SMILES | CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O |
| InChIKey | LCZBQMKVFQNSJR-UHFFFAOYSA-N |
Product Overview
Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- (CAS 603-98-5), with molecular formula C21H30O4 and molecular weight 346.21 g/mol. IUPAC: 17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-
Property Insights of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- has 2 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 Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-?
The CAS number of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- is 603-98-5.
What is the molecular formula of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-?
The molecular formula of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- is C21H30O4.
What is the molecular weight of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-?
The molecular weight of Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- is 346.21 g/mol.
Where can I buy Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-?
You can request a quote for Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione,11,17-dihydroxy-, (11a)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.