F2680-0080
TL;DR: F2680-0080 (CAS 1002596-79-3) is a chemical compound with molecular formula C16H21N5OS2 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
Also Known As: F2680-0080, 1-(4-methylphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea, 1-(5-((2-(pyrrolidin-1-yl)ethyl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea, 1-(4-methylphenyl)-3-(5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea, 3-(4-methylphenyl)-1-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
| Molecular Formula | C16H21N5OS2 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 3.67842 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.11874 |
| Heavy Atoms | 24 |
| Complexity | 667.36224 |
Chemical Identifiers
| CAS Number | 1002596-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCCN3CCCC3 |
Product Overview
F2680-0080 (CAS 1002596-79-3), with molecular formula C16H21N5OS2 and molecular weight 363.12 g/mol. IUPAC: 1-(4-methylphenyl)-3-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of F2680-0080
Property Insights of F2680-0080
The XLogP value of 3.67842 indicates that F2680-0080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F2680-0080. Following Lipinski's Rule of Five, F2680-0080 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 F2680-0080?
The CAS number of F2680-0080 is 1002596-79-3.
What is the molecular formula of F2680-0080?
The molecular formula of F2680-0080 is C16H21N5OS2.
What is the molecular weight of F2680-0080?
The molecular weight of F2680-0080 is 363.12 g/mol.
Where can I buy F2680-0080?
You can request a quote for F2680-0080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2680-0080?
Yes, KEHONG BIO provides custom synthesis services for F2680-0080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.