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Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate (CAS 433247-85-9) is a chemical compound with molecular formula C17H17ClN2O2S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-chlorophenyl)methylcarbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(2-chlorobenzyl)thioureido)benzoate, ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate, A2971/0125205, ethyl 4-[(2-chlorophenyl)methylcarbamothioylamino]benzoate, ETHYL 4-({[(2-CHLOROBENZYL)AMINO]CARBOTHIOYL}AMINO)BENZOATE
| Molecular Formula | C17H17ClN2O2S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.06992 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 433247-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2Cl |
| InChIKey | BDQLCRGNQWBCSU-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate (CAS 433247-85-9), with molecular formula C17H17ClN2O2S and molecular weight 348.07 g/mol. IUPAC: ethyl 4-[(2-chlorophenyl)methylcarbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate
The XLogP value of 3.9 indicates that Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate has 2 hydrogen bond donor(s) and 3 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-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate is 433247-85-9.
What is the molecular formula of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate is C17H17ClN2O2S.
What is the molecular weight of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate is 348.07 g/mol.
Where can I buy Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(2-chlorobenzyl)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-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-chlorobenzyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.