![methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate structure](/static/products/5530/5530-28-9.webp)
methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate
TL;DR: methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate (CAS 5530-28-9) is a chemical compound with molecular formula C27H20ClN3O3 and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate
Also Known As: methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate, Methyl 3-[[3-[2-[(3-chlorophenyl)carbamoyl]-2-cyano-ethenyl]indol-1-yl]methyl]benzoate, Methyl 3-({3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-en-1-yl]-1H-indol-1-yl}methyl)benzoate
| Molecular Formula | C27H20ClN3O3 |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 5.67528 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.11932 |
| Heavy Atoms | 34 |
| Complexity | 1463.5094 |
Chemical Identifiers
| CAS Number | 5530-28-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)NC4=CC(=CC=C4)Cl |
Product Overview
methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate (CAS 5530-28-9), with molecular formula C27H20ClN3O3 and molecular weight 469.12 g/mol. IUPAC: methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate.
Chemical Property Profile of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate
Property Insights of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate
The XLogP value of 5.67528 indicates that methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate. Following Lipinski's Rule of Five, methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate has 1 hydrogen bond donor(s) and 4 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-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate?
The CAS number of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate is 5530-28-9.
What is the molecular formula of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate?
The molecular formula of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate is C27H20ClN3O3.
What is the molecular weight of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate?
The molecular weight of methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate is 469.12 g/mol.
Where can I buy methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate?
You can request a quote for methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]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-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[[3-[3-(3-chloroanilino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.