Einecs 262-725-0
TL;DR: Einecs 262-725-0 (CAS 61339-44-4) is a chemical compound with molecular formula C22H26BrFO4 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,10S,11S,13R,14R,15S)-14-bromo-8-fluoro-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: EINECS 262-725-0, 17-Bromo-9beta,11beta-epoxy-6beta-fluoro-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione, 17-Bromo-6-fluoro-21-hydroxy-16-methyl-9,11-epoxypregna-1,4-diene-3,20-dione, (9xi)-17-Bromo-6beta-fluoro-21-hydroxy-16alpha-methyl-9,11-epoxypregna-1,4-diene-3,20-dione
| Molecular Formula | C22H26BrFO4 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 3.3147 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 452.09985 |
| Heavy Atoms | 28 |
| Complexity | 853.4748 |
Chemical Identifiers
| CAS Number | 61339-44-4 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)CO)Br)C)C)F |
Product Overview
Einecs 262-725-0 (CAS 61339-44-4), with molecular formula C22H26BrFO4 and molecular weight 452.10 g/mol. IUPAC: (2S,8R,10S,11S,13R,14R,15S)-14-bromo-8-fluoro-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of Einecs 262-725-0
Property Insights of Einecs 262-725-0
The XLogP value of 3.3147 indicates that Einecs 262-725-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 262-725-0. Following Lipinski's Rule of Five, Einecs 262-725-0 has 1 hydrogen bond donor(s) and 4 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 Einecs 262-725-0?
The CAS number of Einecs 262-725-0 is 61339-44-4.
What is the molecular formula of Einecs 262-725-0?
The molecular formula of Einecs 262-725-0 is C22H26BrFO4.
What is the molecular weight of Einecs 262-725-0?
The molecular weight of Einecs 262-725-0 is 452.10 g/mol.
Where can I buy Einecs 262-725-0?
You can request a quote for Einecs 262-725-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 262-725-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 262-725-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.