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N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea
TL;DR: N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea (CAS 338752-78-6) is a chemical compound with molecular formula C13H20N2OS2 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(ethylsulfanyl)methyl]-3-(4-methylphenyl)urea
Also Known As: N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea, 1-[bis(ethylsulfanyl)methyl]-3-(4-methylphenyl)urea, 5D-090, 3-[bis(ethylsulfanyl)methyl]-1-(4-methylphenyl)urea
| Molecular Formula | C13H20N2OS2 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.90632 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.1017 |
| Heavy Atoms | 18 |
| Complexity | 361.7589 |
Chemical Identifiers
| CAS Number | 338752-78-6 |
|---|---|
| SMILES | CCSC(NC(=O)NC1=CC=C(C=C1)C)SCC |
Product Overview
N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea (CAS 338752-78-6), with molecular formula C13H20N2OS2 and molecular weight 284.10 g/mol. IUPAC: 1-[bis(ethylsulfanyl)methyl]-3-(4-methylphenyl)urea.
Chemical Property Profile of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea
Property Insights of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea
The XLogP value of 3.90632 indicates that N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea 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-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea 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 N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea?
The CAS number of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea is 338752-78-6.
What is the molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea?
The molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea is C13H20N2OS2.
What is the molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea?
The molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea is 284.10 g/mol.
Where can I buy N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea?
You can request a quote for N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-[bis(ethylsulfanyl)methyl]-N'-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.