5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
TL;DR: 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine (CAS 114751-76-7) is a chemical compound with molecular formula C13H17N3S and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine, 5-(4-Pentyl-phenyl)-[1,3,4]thiadiazol-2-ylamine, 3,7,11,15-tetramethyl-hentriacontane, BAS 00162498, 2-Amino-5-(4-amylphenyl)-1,3,4-thiadiazole
| Molecular Formula | C13H17N3S |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 3.52 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.11432 |
| Heavy Atoms | 17 |
| Complexity | 461.77173 |
Chemical Identifiers
| CAS Number | 114751-76-7 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)C2=NN=C(S2)N |
Product Overview
5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine (CAS 114751-76-7), with molecular formula C13H17N3S and molecular weight 247.11 g/mol. IUPAC: 5-(4-pentylphenyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
Property Insights of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine
The XLogP value of 3.52 indicates that 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine has 1 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 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine is 114751-76-7.
What is the molecular formula of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine is C13H17N3S.
What is the molecular weight of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine is 247.11 g/mol.
Where can I buy 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Pentylphenyl)-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.