![butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate structure](/static/products/3853/385377-33-3.webp)
butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
TL;DR: butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate (CAS 385377-33-3) is a chemical compound with molecular formula C21H21ClN2O3S and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-chloro-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
Also Known As: (E)-butyl 2-chloro-5-(3-cinnamoylthioureido)benzoate, butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate, butyl 2-chloro-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate
| Molecular Formula | C21H21ClN2O3S |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 4.8233 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.09613 |
| Heavy Atoms | 28 |
| Complexity | 869.20935 |
Chemical Identifiers
| CAS Number | 385377-33-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)Cl |
Product Overview
butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate (CAS 385377-33-3), with molecular formula C21H21ClN2O3S and molecular weight 416.10 g/mol. IUPAC: butyl 2-chloro-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzoate.
Chemical Property Profile of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
Property Insights of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate
The XLogP value of 4.8233 indicates that butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]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 butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The CAS number of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is 385377-33-3.
What is the molecular formula of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular formula of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is C21H21ClN2O3S.
What is the molecular weight of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
The molecular weight of butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate is 416.10 g/mol.
Where can I buy butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
You can request a quote for butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]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 butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.