AB00979564-01
TL;DR: AB00979564-01 (CAS 489444-74-8) is a chemical compound with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: AB00979564-01, 2-(hexylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-(hexylsulfanyl)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(hexylthio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-hexylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C23H28N2O3S |
|---|---|
| Molecular Weight | 412.18 g/mol |
| LogP | 5.14338 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.18207 |
| Heavy Atoms | 29 |
| Complexity | 882.5994 |
Chemical Identifiers
| CAS Number | 489444-74-8 |
|---|---|
| SMILES | CCCCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N |
Product Overview
AB00979564-01 (CAS 489444-74-8), with molecular formula C23H28N2O3S and molecular weight 412.18 g/mol. IUPAC: 2-hexylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of AB00979564-01
Property Insights of AB00979564-01
The XLogP value of 5.14338 indicates that AB00979564-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00979564-01. Following Lipinski's Rule of Five, AB00979564-01 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 AB00979564-01?
The CAS number of AB00979564-01 is 489444-74-8.
What is the molecular formula of AB00979564-01?
The molecular formula of AB00979564-01 is C23H28N2O3S.
What is the molecular weight of AB00979564-01?
The molecular weight of AB00979564-01 is 412.18 g/mol.
Where can I buy AB00979564-01?
You can request a quote for AB00979564-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00979564-01?
Yes, KEHONG BIO provides custom synthesis services for AB00979564-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.