AB01300814-01
TL;DR: AB01300814-01 (CAS 488136-76-1) is a chemical compound with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: AB01300814-01, 2-(benzylsulfanyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-benzylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 2-(benzylthio)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 5-oxo-2-(phenylmethylthio)-4-(3,4,5-trimethoxyphenyl)-1,4,6,7,8-pentahydroquin oline-3-carbonitrile
| Molecular Formula | C26H26N2O4S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 5.07488 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.16132 |
| Heavy Atoms | 33 |
| Complexity | 1139.5546 |
Chemical Identifiers
| CAS Number | 488136-76-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N |
Product Overview
AB01300814-01 (CAS 488136-76-1), with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol. IUPAC: 2-benzylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of AB01300814-01
Property Insights of AB01300814-01
The XLogP value of 5.07488 indicates that AB01300814-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01300814-01. Following Lipinski's Rule of Five, AB01300814-01 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB01300814-01?
The CAS number of AB01300814-01 is 488136-76-1.
What is the molecular formula of AB01300814-01?
The molecular formula of AB01300814-01 is C26H26N2O4S.
What is the molecular weight of AB01300814-01?
The molecular weight of AB01300814-01 is 462.16 g/mol.
Where can I buy AB01300814-01?
You can request a quote for AB01300814-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01300814-01?
Yes, KEHONG BIO provides custom synthesis services for AB01300814-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.