AF-399/41767715
TL;DR: AF-399/41767715 (CAS 501112-63-6) is a chemical compound with molecular formula C21H20N6O3S4 and molecular weight 532.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: AF-399/41767715, 2-((4-allyl-5-((benzo[d]thiazol-2-ylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sulfamoylphenyl)acetamide, F1344-0014, 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C21H20N6O3S4 |
|---|---|
| Molecular Weight | 532.05 g/mol |
| LogP | 3.7443 |
| Topological Polar Surface Area | 132.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.048 |
| Heavy Atoms | 34 |
| Complexity | 1397.5018 |
Chemical Identifiers
| CAS Number | 501112-63-6 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CSC3=NC4=CC=CC=C4S3 |
Product Overview
AF-399/41767715 (CAS 501112-63-6), with molecular formula C21H20N6O3S4 and molecular weight 532.05 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of AF-399/41767715
Property Insights of AF-399/41767715
The XLogP value of 3.7443 indicates that AF-399/41767715 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41767715. Following Lipinski's Rule of Five, AF-399/41767715 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41767715?
The CAS number of AF-399/41767715 is 501112-63-6.
What is the molecular formula of AF-399/41767715?
The molecular formula of AF-399/41767715 is C21H20N6O3S4.
What is the molecular weight of AF-399/41767715?
The molecular weight of AF-399/41767715 is 532.05 g/mol.
Where can I buy AF-399/41767715?
You can request a quote for AF-399/41767715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41767715?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41767715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.