![butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate structure](/static/products/5011/501108-75-4.webp)
butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
TL;DR: butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 501108-75-4) is a chemical compound with molecular formula C29H24ClN3O4S and molecular weight 545.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate, butyl 4-{5-[(1E)-2-(N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}carbamoyl) -2-cyanovinyl]-2-furyl}benzoate, Butyl 4-{5-[(1E)-2-(N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}carbamoyl)-2-cyanovinyl]-2-furyl}benzoate, butyl 4-{5-[2-({5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl}carbamoyl)-2-cyanoeth-1-en-1-yl]furan-2-yl}benzoate
| Molecular Formula | C29H24ClN3O4S |
|---|---|
| Molecular Weight | 545.12 g/mol |
| LogP | 7.14988 |
| Topological Polar Surface Area | 105.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.1176 |
| Heavy Atoms | 38 |
| Complexity | 1498.5107 |
Chemical Identifiers
| CAS Number | 501108-75-4 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl |
Product Overview
butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 501108-75-4), with molecular formula C29H24ClN3O4S and molecular weight 545.12 g/mol. IUPAC: butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Property Insights of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
The XLogP value of 7.14988 indicates that butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.22 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate. Following Lipinski's Rule of Five, butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate 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 butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The CAS number of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 501108-75-4.
What is the molecular formula of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular formula of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is C29H24ClN3O4S.
What is the molecular weight of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular weight of butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 545.12 g/mol.
Where can I buy butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
You can request a quote for butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.