![N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide structure](/static/products/5301/530130-89-3.webp)
N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
TL;DR: N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CAS 530130-89-3) is a chemical compound with molecular formula C19H16FN5O4S2 and molecular weight 461.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide, N-[5-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide, N-(5-((2-((4-fluoro-3-nitrophenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide, N-[5-({[(4-FLUORO-3-NITROPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]-3-PHENYLPROPANAMIDE
| Molecular Formula | C19H16FN5O4S2 |
|---|---|
| Molecular Weight | 461.06 g/mol |
| LogP | 3.8875 |
| Topological Polar Surface Area | 127.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.06277 |
| Heavy Atoms | 31 |
| Complexity | 1093.912 |
Chemical Identifiers
| CAS Number | 530130-89-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CAS 530130-89-3), with molecular formula C19H16FN5O4S2 and molecular weight 461.06 g/mol. IUPAC: N-[5-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Property Insights of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
The XLogP value of 3.8875 indicates that N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.12 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide has 2 hydrogen bond donor(s) and 8 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-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The CAS number of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is 530130-89-3.
What is the molecular formula of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The molecular formula of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is C19H16FN5O4S2.
What is the molecular weight of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The molecular weight of N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is 461.06 g/mol.
Where can I buy N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
You can request a quote for N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide 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-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-({2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.