A0533/0024602
TL;DR: A0533/0024602 (CAS 327170-58-1) is a chemical compound with molecular formula C21H16Cl2N2S2 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A0533/0024602, 2-[(3,4-dichlorophenyl)methylthio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3 -carbonitrile, 2-((3,4-dichlorobenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-thien-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(3,4-dichlorobenzyl)sulfanyl]-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H16Cl2N2S2 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 7.15968 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.01318 |
| Heavy Atoms | 27 |
| Complexity | 1023.64624 |
Chemical Identifiers
| CAS Number | 327170-58-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=C(C=C3)Cl)Cl)C#N)C4=CC=CS4 |
Product Overview
A0533/0024602 (CAS 327170-58-1), with molecular formula C21H16Cl2N2S2 and molecular weight 430.01 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A0533/0024602
Property Insights of A0533/0024602
The XLogP value of 7.15968 indicates that A0533/0024602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0533/0024602 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0533/0024602 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0533/0024602?
The CAS number of A0533/0024602 is 327170-58-1.
What is the molecular formula of A0533/0024602?
The molecular formula of A0533/0024602 is C21H16Cl2N2S2.
What is the molecular weight of A0533/0024602?
The molecular weight of A0533/0024602 is 430.01 g/mol.
Where can I buy A0533/0024602?
You can request a quote for A0533/0024602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0533/0024602?
Yes, KEHONG BIO provides custom synthesis services for A0533/0024602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.