![1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea structure](/static/products/339/339202-55-0.png)
1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
TL;DR: 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea (CAS 339202-55-0) is a chemical compound with molecular formula C13H16N4OS and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Also Known As: BAS 00321638, 1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea, 1-(5-Isobutyl-[1,3,4]thiadiazol-2-yl)-3-phenyl-urea
| Molecular Formula | C13H16N4OS |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 3.3806 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.1045 |
| Heavy Atoms | 19 |
| Complexity | 538.58606 |
Chemical Identifiers
| CAS Number | 339202-55-0 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)NC2=CC=CC=C2 |
Product Overview
1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea (CAS 339202-55-0), with molecular formula C13H16N4OS and molecular weight 276.10 g/mol. IUPAC: 1-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea.
Chemical Property Profile of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
Property Insights of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea
The XLogP value of 3.3806 indicates that 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea 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-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea. Following Lipinski's Rule of Five, 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea 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-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The CAS number of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea is 339202-55-0.
What is the molecular formula of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The molecular formula of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea is C13H16N4OS.
What is the molecular weight of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
The molecular weight of 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea is 276.10 g/mol.
Where can I buy 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
You can request a quote for 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(2-Methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.