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N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea
TL;DR: N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea (CAS 337920-40-8) is a chemical compound with molecular formula C18H21ClN2OS and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-3-phenylurea
Also Known As: N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea, 10J-011, 3-(2-{[(4-chlorophenyl)methyl]sulfanyl}-2-methylpropyl)-1-phenylurea, 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-3-phenylurea
| Molecular Formula | C18H21ClN2OS |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 5.1735 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.10632 |
| Heavy Atoms | 23 |
| Complexity | 629.2297 |
Chemical Identifiers
| CAS Number | 337920-40-8 |
|---|---|
| SMILES | CC(C)(CNC(=O)NC1=CC=CC=C1)SCC2=CC=C(C=C2)Cl |
Product Overview
N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea (CAS 337920-40-8), with molecular formula C18H21ClN2OS and molecular weight 348.11 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methylpropyl]-3-phenylurea.
Chemical Property Profile of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea
Property Insights of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea
The XLogP value of 5.1735 indicates that N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea?
The CAS number of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea is 337920-40-8.
What is the molecular formula of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea?
The molecular formula of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea is C18H21ClN2OS.
What is the molecular weight of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea?
The molecular weight of N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea is 348.11 g/mol.
Where can I buy N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea?
You can request a quote for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-{2-[(4-chlorobenzyl)sulfanyl]-2-methylpropyl}-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.