![Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate structure](/static/products/4609/460992-43-2.webp)
Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
TL;DR: Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate (CAS 460992-43-2) is a chemical compound with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate
Also Known As: ASN 04935784, methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate, 4-[3-(3-Imidazol-1-yl-propyl)-thioureido]-benzoic acid methyl ester, Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
| Molecular Formula | C15H18N4O2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 2.0464 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.11505 |
| Heavy Atoms | 22 |
| Complexity | 610.9825 |
Chemical Identifiers
| CAS Number | 460992-43-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NCCCN2C=CN=C2 |
Product Overview
Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate (CAS 460992-43-2), with molecular formula C15H18N4O2S and molecular weight 318.12 g/mol. IUPAC: methyl 4-(3-imidazol-1-ylpropylcarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
Property Insights of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate
The XLogP value of 2.0464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate has 2 hydrogen bond donor(s) and 4 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-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate?
The CAS number of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate is 460992-43-2.
What is the molecular formula of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate?
The molecular formula of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate is C15H18N4O2S.
What is the molecular weight of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate?
The molecular weight of Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate is 318.12 g/mol.
Where can I buy Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate?
You can request a quote for Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]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-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[[3-(1H-imidazol-1-yl)propyl]amino]thioxomethyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.