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Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate (CAS 351165-86-1) is a chemical compound with molecular formula C17H16Cl2N2O2S and molecular weight 382.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(3,4-dichlorobenzyl)thioureido)benzoate, ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate, ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate, ETHYL 4-({[(3,4-DICHLOROBENZYL)AMINO]CARBOTHIOYL}AMINO)BENZOATE
| Molecular Formula | C17H16Cl2N2O2S |
|---|---|
| Molecular Weight | 382.03 g/mol |
| LogP | 4.6567 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.03094 |
| Heavy Atoms | 24 |
| Complexity | 735.8704 |
Chemical Identifiers
| CAS Number | 351165-86-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate (CAS 351165-86-1), with molecular formula C17H16Cl2N2O2S and molecular weight 382.03 g/mol. IUPAC: ethyl 4-[(3,4-dichlorophenyl)methylcarbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate
The XLogP value of 4.6567 indicates that Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(3,4-dichlorobenzyl)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-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate is 351165-86-1.
What is the molecular formula of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate is C17H16Cl2N2O2S.
What is the molecular weight of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate is 382.03 g/mol.
Where can I buy Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(3,4-dichlorobenzyl)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-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(3,4-dichlorobenzyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.