![methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate structure](/static/products/3473/347363-66-0.webp)
methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate
TL;DR: methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate (CAS 347363-66-0) is a chemical compound with molecular formula C25H22ClNO5 and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoate
Also Known As: methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate, (E)-methyl 3-(3-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)acrylamido)benzoate, methyl 3-((2E)-3-{4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}prop-2-enoylamin o)benzoate, methyl 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoate
| Molecular Formula | C25H22ClNO5 |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 5.3661 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.11865 |
| Heavy Atoms | 32 |
| Complexity | 1125.4312 |
Chemical Identifiers
| CAS Number | 347363-66-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC(=C2)C(=O)OC)OCC3=CC=C(C=C3)Cl |
Product Overview
methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate (CAS 347363-66-0), with molecular formula C25H22ClNO5 and molecular weight 451.12 g/mol. IUPAC: methyl 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate
Property Insights of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate
The XLogP value of 5.3661 indicates that methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}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 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate?
The CAS number of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate is 347363-66-0.
What is the molecular formula of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate?
The molecular formula of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate is C25H22ClNO5.
What is the molecular weight of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate?
The molecular weight of methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate is 451.12 g/mol.
Where can I buy methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate?
You can request a quote for methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}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-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}prop-2-enoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.