![1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea structure](/static/products/488/488733-89-7.png)
1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea
TL;DR: 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea (CAS 488733-89-7) is a chemical compound with molecular formula C16H17ClN4OS and molecular weight 348.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-3-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3-chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea, 1-(3-Chloro-phenyl)-3-(5-cyclohex-1-enylmethyl-[1,3,4]thiadiazol-2-yl)-urea, 1-(3-chlorophenyl)-3-(5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3-chlorophenyl)-3-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea, 1-(3-chlorophenyl)-3-[(2Z)-5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C16H17ClN4OS |
|---|---|
| Molecular Weight | 348.08 g/mol |
| LogP | 4.8784 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.08115 |
| Heavy Atoms | 23 |
| Complexity | 728.37524 |
Chemical Identifiers
| CAS Number | 488733-89-7 |
|---|---|
| SMILES | C1CCC(=CC1)CC2=NN=C(S2)NC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea (CAS 488733-89-7), with molecular formula C16H17ClN4OS and molecular weight 348.08 g/mol. IUPAC: 1-(3-chlorophenyl)-3-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea
Property Insights of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea
The XLogP value of 4.8784 indicates that 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]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 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The CAS number of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea is 488733-89-7.
What is the molecular formula of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular formula of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea is C16H17ClN4OS.
What is the molecular weight of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular weight of 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea is 348.08 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea?
You can request a quote for 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-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-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-3-[5-(cyclohex-1-en-1-ylmethyl)-1,3,4-thiadiazol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.