AF-399/40741280
TL;DR: AF-399/40741280 (CAS 355430-63-6) is a chemical compound with molecular formula C23H27N3OS and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl)ethanone
Also Known As: AF-399/40741280, 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl)ethanone, 1-[(1H-benzimidazol-2-ylthio)acetyl]-2,2,4,6,7-pentamethyl-1,2,3,4-tetrahydroquinoline, 1H-benzimidazol-2-yl 2-oxo-2-(2,2,4,6,7-pentamethyl-3,4-dihydro-1(2H)-quinolinyl)ethyl sulfide, 2-((1H-benzo[d]imidazol-2-yl)thio)-1-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
| Molecular Formula | C23H27N3OS |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 5.59084 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.18747 |
| Heavy Atoms | 28 |
| Complexity | 1020.18207 |
Chemical Identifiers
| CAS Number | 355430-63-6 |
|---|---|
| SMILES | CC1CC(N(C2=C1C=C(C(=C2)C)C)C(=O)CSC3=NC4=CC=CC=C4N3)(C)C |
Product Overview
AF-399/40741280 (CAS 355430-63-6), with molecular formula C23H27N3OS and molecular weight 393.19 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethyl-3,4-dihydroquinolin-1-yl)ethanone.
Chemical Property Profile of AF-399/40741280
Property Insights of AF-399/40741280
The XLogP value of 5.59084 indicates that AF-399/40741280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, AF-399/40741280 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40741280 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40741280?
The CAS number of AF-399/40741280 is 355430-63-6.
What is the molecular formula of AF-399/40741280?
The molecular formula of AF-399/40741280 is C23H27N3OS.
What is the molecular weight of AF-399/40741280?
The molecular weight of AF-399/40741280 is 393.19 g/mol.
Where can I buy AF-399/40741280?
You can request a quote for AF-399/40741280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40741280?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40741280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.