EINECS 262-718-2
TL;DR: EINECS 262-718-2 (CAS 61339-38-6) is a chemical compound with molecular formula C24H29BrF2O5 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: EINECS 262-718-2, 17-Bromo-6beta,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate, [2-[(6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 17-Bromo-6,9-difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate, (9xi)-17-Bromo-6beta,9-difluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
| Molecular Formula | C24H29BrF2O5 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 3.8171 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 514.11664 |
| Heavy Atoms | 32 |
| Complexity | 948.6741 |
Chemical Identifiers
| CAS Number | 61339-38-6 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)O)F)C)F |
Product Overview
EINECS 262-718-2 (CAS 61339-38-6), with molecular formula C24H29BrF2O5 and molecular weight 514.12 g/mol. IUPAC: [2-[(6R,8S,10S,11S,13S,14S,16R,17R)-17-bromo-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of EINECS 262-718-2
Property Insights of EINECS 262-718-2
The XLogP value of 3.8171 indicates that EINECS 262-718-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-718-2. Following Lipinski's Rule of Five, EINECS 262-718-2 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 262-718-2?
The CAS number of EINECS 262-718-2 is 61339-38-6.
What is the molecular formula of EINECS 262-718-2?
The molecular formula of EINECS 262-718-2 is C24H29BrF2O5.
What is the molecular weight of EINECS 262-718-2?
The molecular weight of EINECS 262-718-2 is 514.12 g/mol.
Where can I buy EINECS 262-718-2?
You can request a quote for EINECS 262-718-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-718-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-718-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.