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N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea
TL;DR: N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea (CAS 338752-79-7) is a chemical compound with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(ethylsulfanyl)methyl]-3-(4-methoxyphenyl)urea
Also Known As: N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea, 1-[bis(ethylsulfanyl)methyl]-3-(4-methoxyphenyl)urea, 3-[bis(ethylsulfanyl)methyl]-1-(4-methoxyphenyl)urea, 5D-091
| Molecular Formula | C13H20N2O2S2 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.6065 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.09662 |
| Heavy Atoms | 19 |
| Complexity | 378.73453 |
Chemical Identifiers
| CAS Number | 338752-79-7 |
|---|---|
| SMILES | CCSC(NC(=O)NC1=CC=C(C=C1)OC)SCC |
Product Overview
N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea (CAS 338752-79-7), with molecular formula C13H20N2O2S2 and molecular weight 300.10 g/mol. IUPAC: 1-[bis(ethylsulfanyl)methyl]-3-(4-methoxyphenyl)urea.
Chemical Property Profile of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea
Property Insights of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea
The XLogP value of 3.6065 indicates that N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea 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 N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea?
The CAS number of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea is 338752-79-7.
What is the molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea?
The molecular formula of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea is C13H20N2O2S2.
What is the molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea?
The molecular weight of N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea is 300.10 g/mol.
Where can I buy N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea?
You can request a quote for N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)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-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-[bis(ethylsulfanyl)methyl]-N'-(4-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.