![methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate structure](/static/products/3804/380476-95-9.webp)
methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
TL;DR: methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate (CAS 380476-95-9) is a chemical compound with molecular formula C25H18BrClN2O4 and molecular weight 524.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate, Methyl 2-[[(Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
| Molecular Formula | C25H18BrClN2O4 |
|---|---|
| Molecular Weight | 524.01 g/mol |
| LogP | 6.01378 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.01385 |
| Heavy Atoms | 33 |
| Complexity | 1250.007 |
Chemical Identifiers
| CAS Number | 380476-95-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C(=C\C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)Br)/C#N |
Product Overview
methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate (CAS 380476-95-9), with molecular formula C25H18BrClN2O4 and molecular weight 524.01 g/mol. IUPAC: methyl 2-[[(Z)-3-[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
Property Insights of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate
The XLogP value of 6.01378 indicates that methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate 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 methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate?
The CAS number of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate is 380476-95-9.
What is the molecular formula of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate?
The molecular formula of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate is C25H18BrClN2O4.
What is the molecular weight of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate?
The molecular weight of methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate is 524.01 g/mol.
Where can I buy methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate?
You can request a quote for methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-{3-bromo-4-[(4-chlorophenyl)methoxy]phenyl}-2-cyanoprop-2-enamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.