AF-399/40920973
TL;DR: AF-399/40920973 (CAS 379239-54-0) is a chemical compound with molecular formula C27H26N4OS and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: AF-399/40920973, 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone, F1142-3515, 1-(1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)ethanone, 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)ethan-1-one
| Molecular Formula | C27H26N4OS |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 6.1903 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.18274 |
| Heavy Atoms | 33 |
| Complexity | 1543.3607 |
Chemical Identifiers
| CAS Number | 379239-54-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C)C)C |
Product Overview
AF-399/40920973 (CAS 379239-54-0), with molecular formula C27H26N4OS and molecular weight 454.18 g/mol. IUPAC: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of AF-399/40920973
Property Insights of AF-399/40920973
The XLogP value of 6.1903 indicates that AF-399/40920973 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AF-399/40920973 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40920973 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40920973?
The CAS number of AF-399/40920973 is 379239-54-0.
What is the molecular formula of AF-399/40920973?
The molecular formula of AF-399/40920973 is C27H26N4OS.
What is the molecular weight of AF-399/40920973?
The molecular weight of AF-399/40920973 is 454.18 g/mol.
Where can I buy AF-399/40920973?
You can request a quote for AF-399/40920973 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40920973?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40920973 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.