![1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea structure](/static/products/497/497941-51-2.png)
1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
TL;DR: 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 497941-51-2) is a chemical compound with molecular formula C22H23ClN4O2S and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3-chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea, 1-(3-chlorophenyl)-3-(5-((4-cyclohexylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3-chlorophenyl)-3-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 3-(3-chlorophenyl)-1-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, 1-(3-chlorophenyl)-3-[(2Z)-5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C22H23ClN4O2S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 6.4622 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.12302 |
| Heavy Atoms | 30 |
| Complexity | 986.81244 |
Chemical Identifiers
| CAS Number | 497941-51-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(S3)NC(=O)NC4=CC(=CC=C4)Cl |
Product Overview
1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea (CAS 497941-51-2), with molecular formula C22H23ClN4O2S and molecular weight 442.12 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Property Insights of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
The XLogP value of 6.4622 indicates that 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}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-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The CAS number of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 497941-51-2.
What is the molecular formula of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular formula of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is C22H23ClN4O2S.
What is the molecular weight of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
The molecular weight of 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea is 442.12 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
You can request a quote for 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-{5-[(4-cyclohexylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.