Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-
TL;DR: Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- (CAS 976-70-5) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: 6,7-Dihydrocanrenone, Spirolactone, spriolactone, Spironolactone EP impurity C, 3-Oxopregn-4-ene-21,17alpha-carbolactone
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 976-70-5 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C |
| InChIKey | UWBICEKKOYXZRG-WNHSNXHDSA-N |
Product Overview
Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- (CAS 976-70-5), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
Chemical Property Profile of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-
Property Insights of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-
The XLogP value of 3.0 indicates that Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- has 0 hydrogen bond donor(s) and 3 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-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-?
The CAS number of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- is 976-70-5.
What is the molecular formula of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-?
The molecular formula of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- is C22H30O3.
What is the molecular weight of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-?
The molecular weight of Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- is 342.22 g/mol.
Where can I buy Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-?
You can request a quote for Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- 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-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone, (17alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.