AB00115518-01
TL;DR: AB00115518-01 (CAS 431886-74-7) is a chemical compound with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Also Known As: AB00115518-01, 2-METHYL-4-[5-METHYL-2-(METHYLSULFANYL)-3-THIENYL]-N-(6-METHYL-2-PYRIDINYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-N-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, 2-Methyl-4-(5-methyl-2-(methylsulfanyl)-3-thienyl)-N-(6-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 2-Methyl-4-(5-methyl-2-(methylthio)thiophen-3-yl)-N-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C23H25N3O2S2 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 5.08844 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.13882 |
| Heavy Atoms | 30 |
| Complexity | 1097.6179 |
Chemical Identifiers
| CAS Number | 431886-74-7 |
|---|---|
| SMILES | CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(SC(=C4)C)SC)C(=O)CCC3)C |
Product Overview
AB00115518-01 (CAS 431886-74-7), with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol. IUPAC: 2-methyl-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
Chemical Property Profile of AB00115518-01
Property Insights of AB00115518-01
The XLogP value of 5.08844 indicates that AB00115518-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115518-01. Following Lipinski's Rule of Five, AB00115518-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00115518-01?
The CAS number of AB00115518-01 is 431886-74-7.
What is the molecular formula of AB00115518-01?
The molecular formula of AB00115518-01 is C23H25N3O2S2.
What is the molecular weight of AB00115518-01?
The molecular weight of AB00115518-01 is 439.14 g/mol.
Where can I buy AB00115518-01?
You can request a quote for AB00115518-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115518-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115518-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.