EINECS 262-498-8
TL;DR: EINECS 262-498-8 (CAS 60864-69-9) is a chemical compound with molecular formula C23H26BrFO6 and molecular weight 496.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S,8R,10S,11S,14R,15S)-4-bromo-8-fluoro-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-498-8, 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate, 2-Bromo-6-fluoro-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate, (9xi)-2-Bromo-6beta-fluoro-17-hydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
| Molecular Formula | C23H26BrFO6 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.9595 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.0897 |
| Heavy Atoms | 31 |
| Complexity | 975.1135 |
Chemical Identifiers
| CAS Number | 60864-69-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC3C4([C@H]2C[C@H](C5=CC(=O)C(=C[C@@]54C)Br)F)O3)C)O |
Product Overview
EINECS 262-498-8 (CAS 60864-69-9), with molecular formula C23H26BrFO6 and molecular weight 496.09 g/mol. IUPAC: [2-[(2S,8R,10S,11S,14R,15S)-4-bromo-8-fluoro-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 262-498-8
Property Insights of EINECS 262-498-8
The XLogP value of 2.9595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-498-8. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-498-8. Following Lipinski's Rule of Five, EINECS 262-498-8 has 1 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 262-498-8?
The CAS number of EINECS 262-498-8 is 60864-69-9.
What is the molecular formula of EINECS 262-498-8?
The molecular formula of EINECS 262-498-8 is C23H26BrFO6.
What is the molecular weight of EINECS 262-498-8?
The molecular weight of EINECS 262-498-8 is 496.09 g/mol.
Where can I buy EINECS 262-498-8?
You can request a quote for EINECS 262-498-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-498-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-498-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.