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Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate
TL;DR: Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate (CAS 1022580-81-9) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]benzoate
Also Known As: methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate, methyl 4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]benzoate, methyl 4-{2-[2-(anilinocarbothioyl)hydrazino]-2-oxoethoxy}benzenecarboxylate, Methyl 4-(phenylamino)-1-(2-acetoxybenzoate)thiosemicarbazide, Methyl 4-[(phenylthiocarbamoylamino)carbamoylmethoxy]benzoate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 1.8698 |
| Topological Polar Surface Area | 88.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 735.318 |
Chemical Identifiers
| CAS Number | 1022580-81-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC2=CC=CC=C2 |
Product Overview
Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate (CAS 1022580-81-9), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: methyl 4-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethoxy]benzoate.
Chemical Property Profile of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate
Property Insights of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate
The XLogP value of 1.8698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate. The TPSA of 88.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(phenylcarbamothioyl)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-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate?
The CAS number of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate is 1022580-81-9.
What is the molecular formula of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate?
The molecular formula of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate is C17H17N3O4S.
What is the molecular weight of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate?
The molecular weight of Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate is 359.09 g/mol.
Where can I buy Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate?
You can request a quote for Methyl 4-({[(phenylcarbamothioyl)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-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(phenylcarbamothioyl)amino]carbamoyl}methoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.