![N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea structure](/static/products/4262/426249-99-2.webp)
N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea
TL;DR: N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea (CAS 426249-99-2) is a chemical compound with molecular formula C19H19ClN4O2S2 and molecular weight 434.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
Also Known As: N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea, AO-022/43453452, 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea, 1-(5-(((4-chlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(4-ethoxyphenyl)urea, 3-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)urea
| Molecular Formula | C19H19ClN4O2S2 |
|---|---|
| Molecular Weight | 434.06 g/mol |
| LogP | 5.6676 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.06378 |
| Heavy Atoms | 28 |
| Complexity | 901.0569 |
Chemical Identifiers
| CAS Number | 426249-99-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=C(C=C3)Cl |
Product Overview
N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea (CAS 426249-99-2), with molecular formula C19H19ClN4O2S2 and molecular weight 434.06 g/mol. IUPAC: 1-[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea.
Chemical Property Profile of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea
Property Insights of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea
The XLogP value of 5.6676 indicates that N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea. Following Lipinski's Rule of Five, N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea?
The CAS number of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea is 426249-99-2.
What is the molecular formula of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea?
The molecular formula of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea is C19H19ClN4O2S2.
What is the molecular weight of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea?
The molecular weight of N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea is 434.06 g/mol.
Where can I buy N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea?
You can request a quote for N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-{[(4-chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-N'-(4-ethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.