21-Bromo-17-hydroxypregn-4-ene-3,20-dione
TL;DR: 21-Bromo-17-hydroxypregn-4-ene-3,20-dione (CAS 20380-17-0) is a chemical compound with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-17-(2-bromoacetyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 21-bromo-17-hydroxypregn-4-ene-3,20-dione, (8R,9S,10R,13S,14S,17R)-17-(2-bromoacetyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one, RefChem:483894
| Molecular Formula | C21H29BrO3 |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.13 |
| Heavy Atoms | 25 |
| Complexity | 655.5266 |
Chemical Identifiers
| CAS Number | 20380-17-0 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CBr)O)C |
Product Overview
21-Bromo-17-hydroxypregn-4-ene-3,20-dione (CAS 20380-17-0), with molecular formula C21H29BrO3 and molecular weight 408.13 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-(2-bromoacetyl)-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione
Property Insights of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione
The XLogP value of 4.2134 indicates that 21-Bromo-17-hydroxypregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 21-Bromo-17-hydroxypregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 21-Bromo-17-hydroxypregn-4-ene-3,20-dione 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 21-Bromo-17-hydroxypregn-4-ene-3,20-dione?
The CAS number of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione is 20380-17-0.
What is the molecular formula of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione?
The molecular formula of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione is C21H29BrO3.
What is the molecular weight of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione?
The molecular weight of 21-Bromo-17-hydroxypregn-4-ene-3,20-dione is 408.13 g/mol.
Where can I buy 21-Bromo-17-hydroxypregn-4-ene-3,20-dione?
You can request a quote for 21-Bromo-17-hydroxypregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-Bromo-17-hydroxypregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 21-Bromo-17-hydroxypregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.