![1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea structure](/static/products/4296/429623-78-9.webp)
1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
TL;DR: 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea (CAS 429623-78-9) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: 1-(3,4-dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea, AB00110376-01, 1-(3,4-dimethylphenyl)-3-(5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl)urea, 1-(3,4-dimethylphenyl)-3-[(2E)-5-(3-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 4.37414 |
| Topological Polar Surface Area | 110.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 986.0346 |
Chemical Identifiers
| CAS Number | 429623-78-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea (CAS 429623-78-9), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 1-(3,4-dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
Property Insights of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
The XLogP value of 4.37414 indicates that 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-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-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea. Following Lipinski's Rule of Five, 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-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-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea?
The CAS number of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea is 429623-78-9.
What is the molecular formula of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular formula of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea is C17H15N5O3S.
What is the molecular weight of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea?
The molecular weight of 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea is 369.09 g/mol.
Where can I buy 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea?
You can request a quote for 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-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-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethylphenyl)-3-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.