ChemDiv3_004001
TL;DR: ChemDiv3_004001 (CAS 379237-53-3) is a chemical compound with molecular formula C26H24N4OS and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: ChemDiv3_004001, IDI1_021911, AF-399/40851155, BRD-K38490063-001-01-6, 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
| Molecular Formula | C26H24N4OS |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.63256 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.16708 |
| Heavy Atoms | 32 |
| Complexity | 1449.5397 |
Chemical Identifiers
| CAS Number | 379237-53-3 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)C4=C(N(C(=C4)C)CC5=CC=CC=C5)C |
Product Overview
ChemDiv3_004001 (CAS 379237-53-3), with molecular formula C26H24N4OS and molecular weight 440.17 g/mol. IUPAC: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of ChemDiv3_004001
Property Insights of ChemDiv3_004001
The XLogP value of 5.63256 indicates that ChemDiv3_004001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv3_004001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004001 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 ChemDiv3_004001?
The CAS number of ChemDiv3_004001 is 379237-53-3.
What is the molecular formula of ChemDiv3_004001?
The molecular formula of ChemDiv3_004001 is C26H24N4OS.
What is the molecular weight of ChemDiv3_004001?
The molecular weight of ChemDiv3_004001 is 440.17 g/mol.
Where can I buy ChemDiv3_004001?
You can request a quote for ChemDiv3_004001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004001?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.