![1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea structure](/static/products/488/488086-77-7.png)
1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea
TL;DR: 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea (CAS 488086-77-7) is a chemical compound with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea, 1-(4-chlorophenyl)-3-(5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl)urea, 1-(4-chlorophenyl)-3-[(2Z)-5-(4-nitrobenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea, 1-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C16H12ClN5O3S |
|---|---|
| Molecular Weight | 389.03 g/mol |
| LogP | 4.3345 |
| Topological Polar Surface Area | 110.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.03494 |
| Heavy Atoms | 26 |
| Complexity | 927.8181 |
Chemical Identifiers
| CAS Number | 488086-77-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea (CAS 488086-77-7), with molecular formula C16H12ClN5O3S and molecular weight 389.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea
Property Insights of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea
The XLogP value of 4.3345 indicates that 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea. Following Lipinski's Rule of Five, 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea has 2 hydrogen bond donor(s) and 6 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-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea?
The CAS number of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea is 488086-77-7.
What is the molecular formula of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea?
The molecular formula of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea is C16H12ClN5O3S.
What is the molecular weight of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea?
The molecular weight of 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea is 389.03 g/mol.
Where can I buy 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea?
You can request a quote for 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[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-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-phenyl)-3-[5-(4-nitro-benzyl)-[1,3,4]thiadiazol-2-yl]-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.