Halopredon
TL;DR: Halopredon (CAS 5951-85-9) is a chemical compound with molecular formula C21H25BrF2O5 and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Also Known As: Halopredon, KST-1A6331, (6, A,9xi,11, A,17xi)-2-bromo-6,9-difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
| Molecular Formula | C21H25BrF2O5 |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 474.08533 |
| Heavy Atoms | 29 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 5951-85-9 |
|---|---|
| SMILES | C[C@]12C[C@@H](C3([C@H]([C@@H]1CCC2(C(=O)CO)O)C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O |
| InChIKey | MYZDPUZXMFCPMU-JIPLOCHSSA-N |
Product Overview
Halopredon (CAS 5951-85-9), with molecular formula C21H25BrF2O5 and molecular weight 474.09 g/mol. IUPAC: (6R,8S,10S,11S,13S,14S)-2-bromo-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Halopredon
Property Insights of Halopredon
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halopredon. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Halopredon. Following Lipinski's Rule of Five, Halopredon has 3 hydrogen bond donor(s) and 7 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 Halopredon?
The CAS number of Halopredon is 5951-85-9.
What is the molecular formula of Halopredon?
The molecular formula of Halopredon is C21H25BrF2O5.
What is the molecular weight of Halopredon?
The molecular weight of Halopredon is 474.09 g/mol.
Where can I buy Halopredon?
You can request a quote for Halopredon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halopredon?
Yes, KEHONG BIO provides custom synthesis services for Halopredon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.