![N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide structure](/static/products/4887/488747-09-7.webp)
N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
TL;DR: N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (CAS 488747-09-7) is a chemical compound with molecular formula C18H13ClFN3OS and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-prop-2-enylbenzamide
Also Known As: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(prop-2-en-1-yl)benzamide, N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide, N-allyl-N-(5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)-2-fluorobenzamide, N-[5-(4-chlorophenyl)(1,3,4-thiadiazol-2-yl)](2-fluorophenyl)-N-prop-2-enylcar boxamide, N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-prop-2-enylbenzamide
| Molecular Formula | C18H13ClFN3OS |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 4.8304 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.0452 |
| Heavy Atoms | 25 |
| Complexity | 910.69446 |
Chemical Identifiers
| CAS Number | 488747-09-7 |
|---|---|
| SMILES | C=CCN(C1=NN=C(S1)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3F |
Product Overview
N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide (CAS 488747-09-7), with molecular formula C18H13ClFN3OS and molecular weight 373.05 g/mol. IUPAC: N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-prop-2-enylbenzamide.
Chemical Property Profile of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
Property Insights of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
The XLogP value of 4.8304 indicates that N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide has 0 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 N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The CAS number of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is 488747-09-7.
What is the molecular formula of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The molecular formula of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is C18H13ClFN3OS.
What is the molecular weight of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
The molecular weight of N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide is 373.05 g/mol.
Where can I buy N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
You can request a quote for N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N~1~-allyl-N~1~-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.