![ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate structure](/static/products/3511/351165-95-2.webp)
ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate (CAS 351165-95-2) is a chemical compound with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
Also Known As: BAS 02232527, ethyl 4-(3-(3-(1H-imidazol-1-yl)propyl)thioureido)benzoate, ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate, ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate, 4-[3-(3-Imidazol-1-yl-propyl)-thioureido]-benzoic acid ethyl ester
| Molecular Formula | C16H20N4O2S |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 2.4365 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.1307 |
| Heavy Atoms | 23 |
| Complexity | 626.0396 |
Chemical Identifiers
| CAS Number | 351165-95-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 |
Product Overview
ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate (CAS 351165-95-2), with molecular formula C16H20N4O2S and molecular weight 332.13 g/mol. IUPAC: ethyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate.
Chemical Property Profile of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate
The XLogP value of 2.4365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate is 351165-95-2.
What is the molecular formula of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate is C16H20N4O2S.
What is the molecular weight of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate is 332.13 g/mol.
Where can I buy ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[3-(1H-imidazol-1-yl)propyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.