A2094/0087983
TL;DR: A2094/0087983 (CAS 309280-61-3) is a chemical compound with molecular formula C31H26N2O4S and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A2094/0087983, 4-[4-(benzyloxy)phenyl]-2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile, F0192-0554, 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C31H26N2O4S |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 6.46428 |
| Topological Polar Surface Area | 103.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.1613 |
| Heavy Atoms | 38 |
| Complexity | 1512.1385 |
Chemical Identifiers
| CAS Number | 309280-61-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
A2094/0087983 (CAS 309280-61-3), with molecular formula C31H26N2O4S and molecular weight 522.16 g/mol. IUPAC: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A2094/0087983
Property Insights of A2094/0087983
The XLogP value of 6.46428 indicates that A2094/0087983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.44 Ų falls within the moderate polarity range, balancing permeability and solubility for A2094/0087983. Following Lipinski's Rule of Five, A2094/0087983 has 2 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 A2094/0087983?
The CAS number of A2094/0087983 is 309280-61-3.
What is the molecular formula of A2094/0087983?
The molecular formula of A2094/0087983 is C31H26N2O4S.
What is the molecular weight of A2094/0087983?
The molecular weight of A2094/0087983 is 522.16 g/mol.
Where can I buy A2094/0087983?
You can request a quote for A2094/0087983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2094/0087983?
Yes, KEHONG BIO provides custom synthesis services for A2094/0087983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.