![N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide structure](/static/products/4968/4968-05-2.webp)
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide
TL;DR: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide (CAS 4968-05-2) is a chemical compound with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide
Also Known As: BAS 00162490, N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide, N-[5-(2-Chloro-phenyl)-[1,3,4]thiadiazol-2-yl]-4-heptyl-benzamide
| Molecular Formula | C22H24ClN3OS |
|---|---|
| Molecular Weight | 413.13 g/mol |
| LogP | 6.6237 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.13287 |
| Heavy Atoms | 28 |
| Complexity | 908.15515 |
Chemical Identifiers
| CAS Number | 4968-05-2 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl |
Product Overview
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide (CAS 4968-05-2), with molecular formula C22H24ClN3OS and molecular weight 413.13 g/mol. IUPAC: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide.
Chemical Property Profile of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide
Property Insights of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide
The XLogP value of 6.6237 indicates that N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide?
The CAS number of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide is 4968-05-2.
What is the molecular formula of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide?
The molecular formula of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide is C22H24ClN3OS.
What is the molecular weight of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide?
The molecular weight of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide is 413.13 g/mol.
Where can I buy N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide?
You can request a quote for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.