3,14,16,17-Tetrahydroxypregn-5-en-20-one
TL;DR: 3,14,16,17-Tetrahydroxypregn-5-en-20-one (CAS 111625-60-6) is a chemical compound with molecular formula C21H32O5 and molecular weight 364.22498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3S,8R,9S,10R,13S,14S,16R)-3,14,16,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Also Known As: 3,14,16,17-tetrahydroxypregn-5-en-20-one, (17xi)-3beta,14,16alpha,17-Tetrahydroxy-14beta-pregn-5-en-20-one, 1-[(3S,8R,9S,10R,13S,14S,16R)-3,14,16,17-tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Technical Specifications
| Molecular Formula | C21H32O5 |
| Molecular Weight | 364.22498 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.22498 Da |
| Heavy Atoms | 26 |
| Complexity | 673.0 |
| SMILES | CC(=O)C1([C@@H](C[C@]2([C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O)O |
| InChIKey | JDNIGFBXTBYWCN-SUKRYHBESA-N |
Chemical Property Profile of 3,14,16,17-Tetrahydroxypregn-5-en-20-one
Property Insights of 3,14,16,17-Tetrahydroxypregn-5-en-20-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,16,17-Tetrahydroxypregn-5-en-20-one. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,16,17-Tetrahydroxypregn-5-en-20-one. Following Lipinski's Rule of Five, 3,14,16,17-Tetrahydroxypregn-5-en-20-one has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,14,16,17-Tetrahydroxypregn-5-en-20-one?
The CAS number of 3,14,16,17-Tetrahydroxypregn-5-en-20-one is 111625-60-6.
What is the molecular formula of 3,14,16,17-Tetrahydroxypregn-5-en-20-one?
The molecular formula of 3,14,16,17-Tetrahydroxypregn-5-en-20-one is C21H32O5.
What is the molecular weight of 3,14,16,17-Tetrahydroxypregn-5-en-20-one?
The molecular weight of 3,14,16,17-Tetrahydroxypregn-5-en-20-one is 364.22498 g/mol.
Where can I buy 3,14,16,17-Tetrahydroxypregn-5-en-20-one?
You can request a quote for 3,14,16,17-Tetrahydroxypregn-5-en-20-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,14,16,17-Tetrahydroxypregn-5-en-20-one?
Yes, CoreyChem provides custom synthesis services for 3,14,16,17-Tetrahydroxypregn-5-en-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.