AB01252947-03
TL;DR: AB01252947-03 (CAS 714210-12-5) is a chemical compound with molecular formula C25H18ClFN2O2 and molecular weight 432.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloro-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzonitrile
Also Known As: AB01252947-03, 2-({2-chloro-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-ethoxyphenoxy}methyl)benzonitrile, 2-[[2-chloro-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzonitrile
| Molecular Formula | C25H18ClFN2O2 |
|---|---|
| Molecular Weight | 432.10 g/mol |
| LogP | 6.39266 |
| Topological Polar Surface Area | 66.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.1041 |
| Heavy Atoms | 31 |
| Complexity | 1191.6244 |
Chemical Identifiers
| CAS Number | 714210-12-5 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC=C(C=C2)F)Cl)OCC3=CC=CC=C3C#N |
Product Overview
AB01252947-03 (CAS 714210-12-5), with molecular formula C25H18ClFN2O2 and molecular weight 432.10 g/mol. IUPAC: 2-[[2-chloro-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]-6-ethoxyphenoxy]methyl]benzonitrile.
Chemical Property Profile of AB01252947-03
Property Insights of AB01252947-03
The XLogP value of 6.39266 indicates that AB01252947-03 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01252947-03. Following Lipinski's Rule of Five, AB01252947-03 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01252947-03?
The CAS number of AB01252947-03 is 714210-12-5.
What is the molecular formula of AB01252947-03?
The molecular formula of AB01252947-03 is C25H18ClFN2O2.
What is the molecular weight of AB01252947-03?
The molecular weight of AB01252947-03 is 432.10 g/mol.
Where can I buy AB01252947-03?
You can request a quote for AB01252947-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01252947-03?
Yes, KEHONG BIO provides custom synthesis services for AB01252947-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.