EINECS 262-499-3
TL;DR: EINECS 262-499-3 (CAS 60864-70-2) is a chemical compound with molecular formula C21H24BrFO6 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,10S,11S,13R,14S,15S)-4-bromo-8-fluoro-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: EINECS 262-499-3, 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione, 2-Bromo-6-fluoro-16,17,21-trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione, (9xi)-2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione
| Molecular Formula | C21H24BrFO6 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 1.3595 |
| Topological Polar Surface Area | 107.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.07404 |
| Heavy Atoms | 29 |
| Complexity | 901.60223 |
Chemical Identifiers
| CAS Number | 60864-70-2 |
|---|---|
| SMILES | C[C@]12CC3C4(O3)[C@H]([C@@H]1C[C@H]([C@@]2(C(=O)CO)O)O)C[C@H](C5=CC(=O)C(=C[C@]45C)Br)F |
Product Overview
EINECS 262-499-3 (CAS 60864-70-2), with molecular formula C21H24BrFO6 and molecular weight 470.07 g/mol. IUPAC: (2S,8R,10S,11S,13R,14S,15S)-4-bromo-8-fluoro-13,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of EINECS 262-499-3
Property Insights of EINECS 262-499-3
The XLogP value of 1.3595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-499-3. The TPSA of 107.36 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-499-3. Following Lipinski's Rule of Five, EINECS 262-499-3 has 3 hydrogen bond donor(s) and 6 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 262-499-3?
The CAS number of EINECS 262-499-3 is 60864-70-2.
What is the molecular formula of EINECS 262-499-3?
The molecular formula of EINECS 262-499-3 is C21H24BrFO6.
What is the molecular weight of EINECS 262-499-3?
The molecular weight of EINECS 262-499-3 is 470.07 g/mol.
Where can I buy EINECS 262-499-3?
You can request a quote for EINECS 262-499-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-499-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-499-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.