![methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate structure](/static/products/461/461412-91-9.png)
methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (CAS 461412-91-9) is a chemical compound with molecular formula C23H19ClN2O5S and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-(4-((4-chlorobenzyl)oxy)-3-methoxybenzamido)-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
| Molecular Formula | C23H19ClN2O5S |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 5.2081 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0703 |
| Heavy Atoms | 32 |
| Complexity | 1198.3312 |
Chemical Identifiers
| CAS Number | 461412-91-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)C(=O)OC |
Product Overview
methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (CAS 461412-91-9), with molecular formula C23H19ClN2O5S and molecular weight 470.07 g/mol. IUPAC: methyl 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 5.2081 indicates that methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate 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 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is 461412-91-9.
What is the molecular formula of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is C23H19ClN2O5S.
What is the molecular weight of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is 470.07 g/mol.
Where can I buy methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[({4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.