A2551/0108628
TL;DR: A2551/0108628 (CAS 347313-52-4) is a chemical compound with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2551/0108628, 2-methylpropyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methylpropyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, isobutyl 2-methyl-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C22H24F3NO3 |
|---|---|
| Molecular Weight | 407.17 g/mol |
| LogP | 4.8725 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.17084 |
| Heavy Atoms | 29 |
| Complexity | 896.8087 |
Chemical Identifiers
| CAS Number | 347313-52-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3C(F)(F)F)C(=O)OCC(C)C |
Product Overview
A2551/0108628 (CAS 347313-52-4), with molecular formula C22H24F3NO3 and molecular weight 407.17 g/mol. IUPAC: 2-methylpropyl 2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2551/0108628
Property Insights of A2551/0108628
The XLogP value of 4.8725 indicates that A2551/0108628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2551/0108628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2551/0108628 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2551/0108628?
The CAS number of A2551/0108628 is 347313-52-4.
What is the molecular formula of A2551/0108628?
The molecular formula of A2551/0108628 is C22H24F3NO3.
What is the molecular weight of A2551/0108628?
The molecular weight of A2551/0108628 is 407.17 g/mol.
Where can I buy A2551/0108628?
You can request a quote for A2551/0108628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2551/0108628?
Yes, KEHONG BIO provides custom synthesis services for A2551/0108628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.