4-Bromo-17-hydroxyestr-4-en-3-one
TL;DR: 4-Bromo-17-hydroxyestr-4-en-3-one (CAS 605-05-0) is a chemical compound with molecular formula C18H25BrO2 and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-4-bromo-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 4-bromo-17-hydroxyestr-4-en-3-one, KST-1A6437, (17, A)-4-bromo-17-hydroxyestr-4-en-3-one, 4-Bromo-17beta-hydroxyestr-4-en-3-one
| Molecular Formula | C18H25BrO2 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.1038 |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 605-05-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)Br |
| InChIKey | AYZGVGDSHHIXQT-YGRHGMIBSA-N |
Product Overview
4-Bromo-17-hydroxyestr-4-en-3-one (CAS 605-05-0), with molecular formula C18H25BrO2 and molecular weight 352.10 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-4-bromo-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 4-Bromo-17-hydroxyestr-4-en-3-one
Property Insights of 4-Bromo-17-hydroxyestr-4-en-3-one
The XLogP value of 3.5 indicates that 4-Bromo-17-hydroxyestr-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-17-hydroxyestr-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-17-hydroxyestr-4-en-3-one has 1 hydrogen bond donor(s) and 2 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 4-Bromo-17-hydroxyestr-4-en-3-one?
The CAS number of 4-Bromo-17-hydroxyestr-4-en-3-one is 605-05-0.
What is the molecular formula of 4-Bromo-17-hydroxyestr-4-en-3-one?
The molecular formula of 4-Bromo-17-hydroxyestr-4-en-3-one is C18H25BrO2.
What is the molecular weight of 4-Bromo-17-hydroxyestr-4-en-3-one?
The molecular weight of 4-Bromo-17-hydroxyestr-4-en-3-one is 352.10 g/mol.
Where can I buy 4-Bromo-17-hydroxyestr-4-en-3-one?
You can request a quote for 4-Bromo-17-hydroxyestr-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-17-hydroxyestr-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-17-hydroxyestr-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.