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Propyl 3-[(methylcarbamothioyl)amino]benzoate
TL;DR: Propyl 3-[(methylcarbamothioyl)amino]benzoate (CAS 35006-89-4) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3-(methylcarbamothioylamino)benzoate
Also Known As: propyl 3-(3-methylthioureido)benzoate, propyl 3-[(methylcarbamothioyl)amino]benzoate, propyl 3-(methylcarbamothioylamino)benzoate, 3-(3-Methyl-thioureido)-benzoic acid propyl ester
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.1696 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 407.24704 |
Chemical Identifiers
| CAS Number | 35006-89-4 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=CC=C1)NC(=S)NC |
Product Overview
Propyl 3-[(methylcarbamothioyl)amino]benzoate (CAS 35006-89-4), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: propyl 3-(methylcarbamothioylamino)benzoate.
Chemical Property Profile of Propyl 3-[(methylcarbamothioyl)amino]benzoate
Property Insights of Propyl 3-[(methylcarbamothioyl)amino]benzoate
The XLogP value of 2.1696 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3-[(methylcarbamothioyl)amino]benzoate. With a topological polar surface area (TPSA) of 50.36 Ų, Propyl 3-[(methylcarbamothioyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 3-[(methylcarbamothioyl)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 Propyl 3-[(methylcarbamothioyl)amino]benzoate?
The CAS number of Propyl 3-[(methylcarbamothioyl)amino]benzoate is 35006-89-4.
What is the molecular formula of Propyl 3-[(methylcarbamothioyl)amino]benzoate?
The molecular formula of Propyl 3-[(methylcarbamothioyl)amino]benzoate is C12H16N2O2S.
What is the molecular weight of Propyl 3-[(methylcarbamothioyl)amino]benzoate?
The molecular weight of Propyl 3-[(methylcarbamothioyl)amino]benzoate is 252.09 g/mol.
Where can I buy Propyl 3-[(methylcarbamothioyl)amino]benzoate?
You can request a quote for Propyl 3-[(methylcarbamothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 3-[(methylcarbamothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3-[(methylcarbamothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.