EINECS 262-500-7
TL;DR: EINECS 262-500-7 (CAS 60864-71-3) is a chemical compound with molecular formula C23H26BrFO7 and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2S,8R,10S,11S,13R,14S,15S)-4-bromo-8-fluoro-13,14-dihydroxy-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 262-500-7, 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate, 2-Bromo-6-fluoro-16,17-dihydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate, (9xi)-2-Bromo-6beta-fluoro-16alpha,17-dihydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate
| Molecular Formula | C23H26BrFO7 |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 1.9303 |
| Topological Polar Surface Area | 113.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.0846 |
| Heavy Atoms | 32 |
| Complexity | 1008.30396 |
Chemical Identifiers
| CAS Number | 60864-71-3 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC3C4([C@H]2C[C@H](C5=CC(=O)C(=C[C@@]54C)Br)F)O3)C)O)O |
Product Overview
EINECS 262-500-7 (CAS 60864-71-3), with molecular formula C23H26BrFO7 and molecular weight 512.08 g/mol. IUPAC: [2-[(2S,8R,10S,11S,13R,14S,15S)-4-bromo-8-fluoro-13,14-dihydroxy-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 262-500-7
Property Insights of EINECS 262-500-7
The XLogP value of 1.9303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-500-7. The TPSA of 113.43 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-500-7. Following Lipinski's Rule of Five, EINECS 262-500-7 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-500-7?
The CAS number of EINECS 262-500-7 is 60864-71-3.
What is the molecular formula of EINECS 262-500-7?
The molecular formula of EINECS 262-500-7 is C23H26BrFO7.
What is the molecular weight of EINECS 262-500-7?
The molecular weight of EINECS 262-500-7 is 512.08 g/mol.
Where can I buy EINECS 262-500-7?
You can request a quote for EINECS 262-500-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-500-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-500-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.