![methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate structure](/static/products/1024/1024147-43-0.webp)
methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate
TL;DR: methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate (CAS 1024147-43-0) is a chemical compound with molecular formula C17H16ClN3O4S and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate
Also Known As: methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate, methyl 4-(2-{2-[(4-chloroanilino)carbothioyl]hydrazino}-2-oxoethoxy)benzenecarboxylate, methyl 4-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate, Methyl 4-[[(4-chlorophenyl)thiocarbamoylamino]carbamoylmethoxy]benzoate, methyl4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate
| Molecular Formula | C17H16ClN3O4S |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 2.5232 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.055 |
| Heavy Atoms | 26 |
| Complexity | 781.5999 |
Chemical Identifiers
| CAS Number | 1024147-43-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate (CAS 1024147-43-0), with molecular formula C17H16ClN3O4S and molecular weight 393.06 g/mol. IUPAC: methyl 4-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate.
Chemical Property Profile of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate
Property Insights of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate
The XLogP value of 2.5232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate. Following Lipinski's Rule of Five, methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate has 3 hydrogen bond donor(s) and 5 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 methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate?
The CAS number of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate is 1024147-43-0.
What is the molecular formula of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate?
The molecular formula of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate is C17H16ClN3O4S.
What is the molecular weight of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate?
The molecular weight of methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate is 393.06 g/mol.
Where can I buy methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate?
You can request a quote for methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({[(4-chlorophenyl)carbamothioyl]amino}carbamoyl)methoxy]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.