![1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea structure](/static/products/5002/500272-45-7.webp)
1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea
TL;DR: 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea (CAS 500272-45-7) is a chemical compound with molecular formula C18H14ClN5O3S and molecular weight 415.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea
Also Known As: 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-en-1-ylurea, 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea, 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enyl-urea, 1-allyl-1-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea, N-ALLYL-N-[5-(4-CHLOROPHENYL)-1,3,4-THIADIAZOL-2-YL]-N'-(4-NITROPHENYL)UREA
| Molecular Formula | C18H14ClN5O3S |
|---|---|
| Molecular Weight | 415.05 g/mol |
| LogP | 4.9912 |
| Topological Polar Surface Area | 101.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.0506 |
| Heavy Atoms | 28 |
| Complexity | 1004.8204 |
Chemical Identifiers
| CAS Number | 500272-45-7 |
|---|---|
| SMILES | C=CCN(C1=NN=C(S1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea (CAS 500272-45-7), with molecular formula C18H14ClN5O3S and molecular weight 415.05 g/mol. IUPAC: 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea.
Chemical Property Profile of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea
Property Insights of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea
The XLogP value of 4.9912 indicates that 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea. Following Lipinski's Rule of Five, 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea has 1 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-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea?
The CAS number of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea is 500272-45-7.
What is the molecular formula of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea?
The molecular formula of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea is C18H14ClN5O3S.
What is the molecular weight of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea?
The molecular weight of 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea is 415.05 g/mol.
Where can I buy 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea?
You can request a quote for 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-1-prop-2-enylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.