![1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea structure](/static/products/426/426239-87-4.png)
1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea
TL;DR: 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea (CAS 426239-87-4) is a chemical compound with molecular formula C18H16Cl2N4O2S2 and molecular weight 454.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea
Also Known As: 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea, 1-(5-(((2,4-dichlorobenzyl)thio)methyl)-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea, N-(5-{[(2,4-dichlorobenzyl)thio]methyl}-1,3,4-thiadiazol-2-yl)-N'-(3-methoxyphenyl)urea, 1-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea, 3-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-1-(3-methoxyphenyl)urea
| Molecular Formula | C18H16Cl2N4O2S2 |
|---|---|
| Molecular Weight | 454.01 g/mol |
| LogP | 5.9309 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.0092 |
| Heavy Atoms | 28 |
| Complexity | 968.2636 |
Chemical Identifiers
| CAS Number | 426239-87-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)NC2=NN=C(S2)CSCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea (CAS 426239-87-4), with molecular formula C18H16Cl2N4O2S2 and molecular weight 454.01 g/mol. IUPAC: 1-[5-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-3-(3-methoxyphenyl)urea.
Chemical Property Profile of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea
Property Insights of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea
The XLogP value of 5.9309 indicates that 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)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 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea. Following Lipinski's Rule of Five, 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)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 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea?
The CAS number of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea is 426239-87-4.
What is the molecular formula of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea?
The molecular formula of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea is C18H16Cl2N4O2S2.
What is the molecular weight of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea?
The molecular weight of 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea is 454.01 g/mol.
Where can I buy 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea?
You can request a quote for 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.