Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate
TL;DR: Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate (CAS 765920-38-5) is a chemical compound with molecular formula C22H23FN4O3 and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate
Also Known As: METHYL 3-(4-CYANO-2-FLUOROBENZAMIDO)-4-(4-ETHYLPIPERAZIN-1-YL)BENZOATE, Methyl 3-[(4-cyano-2-fluoro-benzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate, methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate, methyl 3-{[(4-cyano-2-fluorophenyl)carbonyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate
| Molecular Formula | C22H23FN4O3 |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 2.87818 |
| Topological Polar Surface Area | 85.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1754 |
| Heavy Atoms | 30 |
| Complexity | 994.36255 |
Chemical Identifiers
| CAS Number | 765920-38-5 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)C#N)F |
Product Overview
Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate (CAS 765920-38-5), with molecular formula C22H23FN4O3 and molecular weight 410.18 g/mol. IUPAC: methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate.
Chemical Property Profile of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate
Property Insights of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate
The XLogP value of 2.87818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate. The TPSA of 85.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate. Following Lipinski's Rule of Five, Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate has 1 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 Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate?
The CAS number of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate is 765920-38-5.
What is the molecular formula of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate?
The molecular formula of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate is C22H23FN4O3.
What is the molecular weight of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate?
The molecular weight of Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate is 410.18 g/mol.
Where can I buy Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate?
You can request a quote for Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-cyano-2-fluorobenzamido)-4-(4-ethylpiperazin-1-YL)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.