![1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea structure](/static/products/496/496775-27-0.png)
1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
TL;DR: 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 496775-27-0) is a chemical compound with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
Also Known As: 1-(2-fluorophenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea, 1-(2-FLUOROPHENYL)-3-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)UREA, 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C12H13FN4OS |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.4446 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0794 |
| Heavy Atoms | 19 |
| Complexity | 584.6133 |
Chemical Identifiers
| CAS Number | 496775-27-0 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)NC2=CC=CC=C2F |
Product Overview
1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea (CAS 496775-27-0), with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol. IUPAC: 1-(2-fluorophenyl)-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea.
Chemical Property Profile of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
Property Insights of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
The XLogP value of 3.4446 indicates that 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]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-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea. Following Lipinski's Rule of Five, 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]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-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The CAS number of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is 496775-27-0.
What is the molecular formula of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular formula of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is C12H13FN4OS.
What is the molecular weight of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
The molecular weight of 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea is 280.08 g/mol.
Where can I buy 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
You can request a quote for 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-fluorophenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.