A0533/0024603
TL;DR: A0533/0024603 (CAS 339582-77-3) is a chemical compound with molecular formula C23H20N2S2 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A0533/0024603, 2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(cinnamylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-(cinnamylthio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H20N2S2 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 6.36608 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10678 |
| Heavy Atoms | 27 |
| Complexity | 983.46295 |
Chemical Identifiers
| CAS Number | 339582-77-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SC/C=C/C3=CC=CC=C3)C#N)C4=CC=CS4 |
Product Overview
A0533/0024603 (CAS 339582-77-3), with molecular formula C23H20N2S2 and molecular weight 388.11 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A0533/0024603
Property Insights of A0533/0024603
The XLogP value of 6.36608 indicates that A0533/0024603 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, A0533/0024603 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0533/0024603 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 A0533/0024603?
The CAS number of A0533/0024603 is 339582-77-3.
What is the molecular formula of A0533/0024603?
The molecular formula of A0533/0024603 is C23H20N2S2.
What is the molecular weight of A0533/0024603?
The molecular weight of A0533/0024603 is 388.11 g/mol.
Where can I buy A0533/0024603?
You can request a quote for A0533/0024603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0533/0024603?
Yes, KEHONG BIO provides custom synthesis services for A0533/0024603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.