![1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea structure](/static/products/7012/701281-81-4.webp)
1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea
TL;DR: 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea (CAS 701281-81-4) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea
Also Known As: 1-[(2-methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea, 2-[(2-methyl-3-nitrophenyl)carbonyl]-N-(1-phenylethyl)hydrazinecarbothioamide, (2-methyl-3-nitrophenyl)-N-({[(phenylethyl)amino]thioxomethyl}amino)carboxamid e
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.77332 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 795.7349 |
Chemical Identifiers
| CAS Number | 701281-81-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NNC(=S)NC(C)C2=CC=CC=C2 |
Product Overview
1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea (CAS 701281-81-4), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: 1-[(2-methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea.
Chemical Property Profile of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea
Property Insights of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea
The XLogP value of 2.77332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea. Following Lipinski's Rule of Five, 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea has 3 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 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea?
The CAS number of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea is 701281-81-4.
What is the molecular formula of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea?
The molecular formula of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea is C17H18N4O3S.
What is the molecular weight of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea?
The molecular weight of 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea is 358.11 g/mol.
Where can I buy 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea?
You can request a quote for 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Methyl-3-nitrobenzoyl)amino]-3-(1-phenylethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.