AB01306304-01
TL;DR: AB01306304-01 (CAS 498536-70-2) is a chemical compound with molecular formula C27H28N2O3S and molecular weight 460.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AB01306304-01, 2-(benzylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-(BENZYLSULFANYL)-4-(3,4-DIMETHOXYPHENYL)-7,7-DIMETHYL-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBONITRILE, 2-(benzylthio)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C27H28N2O3S |
|---|---|
| Molecular Weight | 460.18 g/mol |
| LogP | 5.70238 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.18207 |
| Heavy Atoms | 33 |
| Complexity | 1175.5978 |
Chemical Identifiers
| CAS Number | 498536-70-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C |
Product Overview
AB01306304-01 (CAS 498536-70-2), with molecular formula C27H28N2O3S and molecular weight 460.18 g/mol. IUPAC: 2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of AB01306304-01
Property Insights of AB01306304-01
The XLogP value of 5.70238 indicates that AB01306304-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.35 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01306304-01. Following Lipinski's Rule of Five, AB01306304-01 has 1 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 AB01306304-01?
The CAS number of AB01306304-01 is 498536-70-2.
What is the molecular formula of AB01306304-01?
The molecular formula of AB01306304-01 is C27H28N2O3S.
What is the molecular weight of AB01306304-01?
The molecular weight of AB01306304-01 is 460.18 g/mol.
Where can I buy AB01306304-01?
You can request a quote for AB01306304-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01306304-01?
Yes, KEHONG BIO provides custom synthesis services for AB01306304-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.