Einecs 260-962-4
TL;DR: Einecs 260-962-4 (CAS 57789-28-3) is a chemical compound with molecular formula C26H30BrFO7 and molecular weight 552.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1S,2S,8R,10S,11S,13R,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-2,13,15-trimethyl-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: Nonanamide,4-hydroxy, 2-Bromo-9beta,11beta-epoxy-6beta-fluoro-17,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate), 2-Bromo-6-fluoro-16-methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate, (17xi)-2-Bromo-6-fluoro-16-methyl-3,20-dioxo-6beta,9beta,11beta,16alpha-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate, EINECS 260-962-4
| Molecular Formula | C26H30BrFO7 |
|---|---|
| Molecular Weight | 552.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.1159 |
| Heavy Atoms | 35 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 57789-28-3 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C(=C[C@@]4([C@]35[C@@H](O5)C[C@@]2(C1(C(=O)COC(=O)C)OC(=O)C)C)C)Br)F |
| InChIKey | GDCKMIOWCSGXQI-ROVMBWLFSA-N |
Product Overview
Einecs 260-962-4 (CAS 57789-28-3), with molecular formula C26H30BrFO7 and molecular weight 552.12 g/mol. IUPAC: [2-[(1S,2S,8R,10S,11S,13R,15S,17S)-14-acetyloxy-4-bromo-8-fluoro-2,13,15-trimethyl-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 260-962-4
Property Insights of Einecs 260-962-4
The XLogP value of 3.4 indicates that Einecs 260-962-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 260-962-4. Following Lipinski's Rule of Five, Einecs 260-962-4 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 260-962-4?
The CAS number of Einecs 260-962-4 is 57789-28-3.
What is the molecular formula of Einecs 260-962-4?
The molecular formula of Einecs 260-962-4 is C26H30BrFO7.
What is the molecular weight of Einecs 260-962-4?
The molecular weight of Einecs 260-962-4 is 552.12 g/mol.
Where can I buy Einecs 260-962-4?
You can request a quote for Einecs 260-962-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 260-962-4?
Yes, KEHONG BIO provides custom synthesis services for Einecs 260-962-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.