3-氧代孕-4-烯-21,17-碳内酯
TL;DR: 3-氧代孕-4-烯-21,17-碳内酯 (CAS 801-37-6) 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.
3-氧代孕-4-烯-21,17-碳内酯
(8R,9S,10R,13S,14S,17S)-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: Spirolactone, 3-Oxopregn-4-ene-21,17-carbolactone, (8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, 17-Hydroxy-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone, Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, I(3)-lactone
| 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 | 801-37-6 |
|---|---|
| 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-LHZXLZLDSA-N |
Product Overview
3-氧代孕-4-烯-21,17-碳内酯 (CAS 801-37-6), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-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 3-氧代孕-4-烯-21,17-碳内酯
Property Insights of 3-氧代孕-4-烯-21,17-碳内酯
The XLogP value of 3.0 indicates that 3-氧代孕-4-烯-21,17-碳内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-氧代孕-4-烯-21,17-碳内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代孕-4-烯-21,17-碳内酯 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 3-氧代孕-4-烯-21,17-碳内酯?
The CAS number of 3-氧代孕-4-烯-21,17-碳内酯 is 801-37-6.
What is the molecular formula of 3-氧代孕-4-烯-21,17-碳内酯?
The molecular formula of 3-氧代孕-4-烯-21,17-碳内酯 is C22H30O3.
What is the molecular weight of 3-氧代孕-4-烯-21,17-碳内酯?
The molecular weight of 3-氧代孕-4-烯-21,17-碳内酯 is 342.22 g/mol.
Where can I buy 3-氧代孕-4-烯-21,17-碳内酯?
You can request a quote for 3-氧代孕-4-烯-21,17-碳内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代孕-4-烯-21,17-碳内酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代孕-4-烯-21,17-碳内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.