![4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide structure](/static/products/613/613226-19-0.png)
4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide
TL;DR: 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide (CAS 613226-19-0) is a chemical compound with molecular formula C22H18N4O2S3 and molecular weight 466.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((5-((naphthalen-1-ylmethyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzamide, 4-{[({5-[(1-naphthylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]amino}benzamide, 4-{2-[5-(naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide, 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide, 4-[2-({5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamido]benzamide
| Molecular Formula | C22H18N4O2S3 |
|---|---|
| Molecular Weight | 466.06 g/mol |
| LogP | 4.8133 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.0592 |
| Heavy Atoms | 31 |
| Complexity | 1219.6532 |
Chemical Identifiers
| CAS Number | 613226-19-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)N |
Product Overview
4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide (CAS 613226-19-0), with molecular formula C22H18N4O2S3 and molecular weight 466.06 g/mol. IUPAC: 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide
Property Insights of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide
The XLogP value of 4.8133 indicates that 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide. Following Lipinski's Rule of Five, 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide has 2 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 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide?
The CAS number of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide is 613226-19-0.
What is the molecular formula of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide?
The molecular formula of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide is C22H18N4O2S3.
What is the molecular weight of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide?
The molecular weight of 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide is 466.06 g/mol.
Where can I buy 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide?
You can request a quote for 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-{2-[5-(Naphthylmethylthio)-1,3,4-thiadiazol-2-ylthio]acetylamino}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.