A2555/0108829
TL;DR: A2555/0108829 (CAS 347320-61-0) is a chemical compound with molecular formula C24H28F3NO3S and molecular weight 467.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2555/0108829, 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 2,7,7-trimethyl-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H28F3NO3S |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 5.6057 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1742 |
| Heavy Atoms | 32 |
| Complexity | 978.94666 |
Chemical Identifiers
| CAS Number | 347320-61-0 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3C(F)(F)F)C(=O)CC(C2)(C)C)C |
Product Overview
A2555/0108829 (CAS 347320-61-0), with molecular formula C24H28F3NO3S and molecular weight 467.17 g/mol. IUPAC: 2-ethylsulfanylethyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2555/0108829
Property Insights of A2555/0108829
The XLogP value of 5.6057 indicates that A2555/0108829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2555/0108829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2555/0108829 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2555/0108829?
The CAS number of A2555/0108829 is 347320-61-0.
What is the molecular formula of A2555/0108829?
The molecular formula of A2555/0108829 is C24H28F3NO3S.
What is the molecular weight of A2555/0108829?
The molecular weight of A2555/0108829 is 467.17 g/mol.
Where can I buy A2555/0108829?
You can request a quote for A2555/0108829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2555/0108829?
Yes, KEHONG BIO provides custom synthesis services for A2555/0108829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.