![N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide structure](/static/products/4336/433691-25-9.webp)
N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
TL;DR: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CAS 433691-25-9) is a chemical compound with molecular formula C18H15ClN4O3S2 and molecular weight 434.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Also Known As: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide, N-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide, N-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide, Cambridge id 6965860
| Molecular Formula | C18H15ClN4O3S2 |
|---|---|
| Molecular Weight | 434.03 g/mol |
| LogP | 4.9633 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.0274 |
| Heavy Atoms | 28 |
| Complexity | 981.97186 |
Chemical Identifiers
| CAS Number | 433691-25-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-] |
Product Overview
N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide (CAS 433691-25-9), with molecular formula C18H15ClN4O3S2 and molecular weight 434.03 g/mol. IUPAC: N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
Property Insights of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
The XLogP value of 4.9633 indicates that N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide. Following Lipinski's Rule of Five, N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide has 1 hydrogen bond donor(s) and 7 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-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The CAS number of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is 433691-25-9.
What is the molecular formula of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The molecular formula of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is C18H15ClN4O3S2.
What is the molecular weight of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
The molecular weight of N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide is 434.03 g/mol.
Where can I buy N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
You can request a quote for N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-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-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.