![1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea structure](/static/products/894/894513-61-2.png)
1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea
TL;DR: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea (CAS 894513-61-2) is a chemical compound with molecular formula C18H19ClN4O4S and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea
Also Known As: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea, N-(4-chlorobenzyl)-2-[2-(4-methyl-2-nitrophenoxy)propanoyl]hydrazinecarbothioamide, 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiourea, N-[({[(4-chlorophenyl)methyl]amino}thioxomethyl)amino]-2-(4-methyl-2-nitrophen oxy)propanamide
| Molecular Formula | C18H19ClN4O4S |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 3.01942 |
| Topological Polar Surface Area | 105.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.08154 |
| Heavy Atoms | 28 |
| Complexity | 876.38934 |
Chemical Identifiers
| CAS Number | 894513-61-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(C)C(=O)NNC(=S)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea (CAS 894513-61-2), with molecular formula C18H19ClN4O4S and molecular weight 422.08 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea.
Chemical Property Profile of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea
Property Insights of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea
The XLogP value of 3.01942 indicates that 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea 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 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea?
The CAS number of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea is 894513-61-2.
What is the molecular formula of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea?
The molecular formula of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea is C18H19ClN4O4S.
What is the molecular weight of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea?
The molecular weight of 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea is 422.08 g/mol.
Where can I buy 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea?
You can request a quote for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)methyl]-3-[2-(4-methyl-2-nitrophenoxy)propanoylamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.