![N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide structure](/static/products/7012/701246-41-5.webp)
N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
TL;DR: N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide (CAS 701246-41-5) is a chemical compound with molecular formula C25H19ClN4O3S2 and molecular weight 522.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[4-[(4-acetylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
Also Known As: N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide, N-[5-[[4-[(4-acetylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
| Molecular Formula | C25H19ClN4O3S2 |
|---|---|
| Molecular Weight | 522.06 g/mol |
| LogP | 6.191 |
| Topological Polar Surface Area | 101.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.0587 |
| Heavy Atoms | 35 |
| Complexity | 1372.2446 |
Chemical Identifiers
| CAS Number | 701246-41-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide (CAS 701246-41-5), with molecular formula C25H19ClN4O3S2 and molecular weight 522.06 g/mol. IUPAC: N-[5-[[4-[(4-acetylphenyl)carbamoyl]phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide.
Chemical Property Profile of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
Property Insights of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
The XLogP value of 6.191 indicates that N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide has 2 hydrogen bond donor(s) and 7 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-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The CAS number of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is 701246-41-5.
What is the molecular formula of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The molecular formula of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is C25H19ClN4O3S2.
What is the molecular weight of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
The molecular weight of N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide is 522.06 g/mol.
Where can I buy N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
You can request a quote for N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-({4-[(4-acetylphenyl)carbamoyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.