![methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate structure](/static/products/3804/380477-66-7.webp)
methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate
TL;DR: methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate (CAS 380477-66-7) is a chemical compound with molecular formula C26H21ClN2O5 and molecular weight 476.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate, Methyl 2-[[(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate
| Molecular Formula | C26H21ClN2O5 |
|---|---|
| Molecular Weight | 476.11 g/mol |
| LogP | 5.25988 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.1139 |
| Heavy Atoms | 34 |
| Complexity | 1262.9277 |
Chemical Identifiers
| CAS Number | 380477-66-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2C(=O)OC)OCC3=CC=C(C=C3)Cl |
Product Overview
methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate (CAS 380477-66-7), with molecular formula C26H21ClN2O5 and molecular weight 476.11 g/mol. IUPAC: methyl 2-[[(Z)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate
Property Insights of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate
The XLogP value of 5.25988 indicates that methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate has 1 hydrogen bond donor(s) and 6 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-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate?
The CAS number of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate is 380477-66-7.
What is the molecular formula of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate?
The molecular formula of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate is C26H21ClN2O5.
What is the molecular weight of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate?
The molecular weight of methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate is 476.11 g/mol.
Where can I buy methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate?
You can request a quote for methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-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-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}-2-cyanoprop-2-enamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.