ChemDiv3_003416
TL;DR: ChemDiv3_003416 (CAS 499208-99-0) is a chemical compound with molecular formula C25H24N4O2S2 and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_003416, IDI1_021326, 2,2'-(methylenebis(sulfanediyl))bis(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile), AE-848/41151100, 2-({[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]methyl}sulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C25H24N4O2S2 |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 5.37206 |
| Topological Polar Surface Area | 107.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.13406 |
| Heavy Atoms | 33 |
| Complexity | 1171.1339 |
Chemical Identifiers
| CAS Number | 499208-99-0 |
|---|---|
| SMILES | CC1(CC2=C(C=C(C(=N2)SCSC3=NC4=C(C=C3C#N)C(=O)CC(C4)(C)C)C#N)C(=O)C1)C |
Product Overview
ChemDiv3_003416 (CAS 499208-99-0), with molecular formula C25H24N4O2S2 and molecular weight 476.13 g/mol. IUPAC: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanylmethylsulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv3_003416
Property Insights of ChemDiv3_003416
The XLogP value of 5.37206 indicates that ChemDiv3_003416 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003416. Following Lipinski's Rule of Five, ChemDiv3_003416 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003416?
The CAS number of ChemDiv3_003416 is 499208-99-0.
What is the molecular formula of ChemDiv3_003416?
The molecular formula of ChemDiv3_003416 is C25H24N4O2S2.
What is the molecular weight of ChemDiv3_003416?
The molecular weight of ChemDiv3_003416 is 476.13 g/mol.
Where can I buy ChemDiv3_003416?
You can request a quote for ChemDiv3_003416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003416?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.