5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one
TL;DR: 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one (CAS 63405-85-6) is a chemical compound with molecular formula C21H31BrO3 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(13-bromo-15-hydroxy-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-6-yl)ethanone
Also Known As: 5-bromo-3-hydroxy-6,19-epoxypregnan-20-one, 5.alpha.-Pregnan-20-one,19-epoxy-3.beta.-hydroxy-, 5alpha-Pregnan-20-one, 5-bromo-6beta,19-epoxy-3beta-hydroxy-, 5.alpha.-Pregnan-20-one, 5-bromo-6.beta.,19-epoxy-3.beta.-hydroxy-, Pregnan-20-one,19-epoxy-3-hydroxy-, (3.beta.,5.alpha.,6.beta.)-
| Molecular Formula | C21H31BrO3 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 410.14566 |
| Heavy Atoms | 25 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 63405-85-6 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)O)CO4)Br)C |
| InChIKey | VTKXNWSYXAOCHU-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one (CAS 63405-85-6), with molecular formula C21H31BrO3 and molecular weight 410.15 g/mol. IUPAC: 1-(13-bromo-15-hydroxy-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecan-6-yl)ethanone.
Chemical Property Profile of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one
Property Insights of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one
The XLogP value of 3.7 indicates that 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one has 1 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 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one?
The CAS number of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one is 63405-85-6.
What is the molecular formula of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one?
The molecular formula of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one is C21H31BrO3.
What is the molecular weight of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one?
The molecular weight of 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one is 410.15 g/mol.
Where can I buy 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one?
You can request a quote for 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-hydroxy-6,19-epoxypregnan-20-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.