EINECS 262-501-2
TL;DR: EINECS 262-501-2 (CAS 60864-73-5) 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-[(6R,8S,10R,13S,14S,16R,17S)-2-bromo-6-fluoro-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-501-2, 2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate, [2-[(6R,8S,10R,13S,14S,16R,17S)-2-bromo-6-fluoro-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 2-bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9 -triene-3,20-dione21-acetate, 2-Bromo-6beta-fluoro-16alpha,17-dihydroxy-3,20-dioxopregna-1,4,9(11)-trien-21-yl acetate
| Molecular Formula | C23H26BrFO6 |
|---|---|
| Molecular Weight | 496.09 g/mol |
| LogP | 2.7191 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.0897 |
| Heavy Atoms | 31 |
| Complexity | 969.1135 |
Chemical Identifiers
| CAS Number | 60864-73-5 |
|---|---|
| SMILES | CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)C)O)O |
Product Overview
EINECS 262-501-2 (CAS 60864-73-5), with molecular formula C23H26BrFO6 and molecular weight 496.09 g/mol. IUPAC: [2-[(6R,8S,10R,13S,14S,16R,17S)-2-bromo-6-fluoro-16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 262-501-2
Property Insights of EINECS 262-501-2
The XLogP value of 2.7191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-501-2. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-501-2. Following Lipinski's Rule of Five, EINECS 262-501-2 has 2 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 262-501-2?
The CAS number of EINECS 262-501-2 is 60864-73-5.
What is the molecular formula of EINECS 262-501-2?
The molecular formula of EINECS 262-501-2 is C23H26BrFO6.
What is the molecular weight of EINECS 262-501-2?
The molecular weight of EINECS 262-501-2 is 496.09 g/mol.
Where can I buy EINECS 262-501-2?
You can request a quote for EINECS 262-501-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-501-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-501-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.