Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate
TL;DR: Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate (CAS 28444-97-5) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1R,2S,4S,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]-2-oxoethyl] acetate
Also Known As: KST-1A3977, (3, A,16, A)-3-hydroxy-20-oxo-16,17-epoxypregn-5-en-21-yl acetate, 3-Hydroxy-20-oxo-16,17-epoxypregn-5-en-21-yl acetate
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 28444-97-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]12[C@@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C |
| InChIKey | ZGLUWNAFPZDBGF-UEQARSHDSA-N |
Product Overview
Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate (CAS 28444-97-5), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: [2-[(1R,2S,4S,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate
Property Insights of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate. Following Lipinski's Rule of Five, Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate has 1 hydrogen bond donor(s) and 5 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-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate?
The CAS number of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate is 28444-97-5.
What is the molecular formula of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate?
The molecular formula of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate is C23H32O5.
What is the molecular weight of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate?
The molecular weight of Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate is 388.22 g/mol.
Where can I buy Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate?
You can request a quote for Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate?
Yes, KEHONG BIO provides custom synthesis services for Pregn-5-en-20-one, 16,17-epoxy-3beta,21-dihydroxy-, 21-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.