A2558/0108963
TL;DR: A2558/0108963 (CAS 347329-85-5) is a chemical compound with molecular formula C28H31NO4 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2558/0108963, 2-phenylethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenethyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, phenethyl 4-(2-isopropoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H31NO4 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 5.2276 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2253 |
| Heavy Atoms | 33 |
| Complexity | 1097.8903 |
Chemical Identifiers
| CAS Number | 347329-85-5 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC(C)C)C(=O)OCCC4=CC=CC=C4 |
Product Overview
A2558/0108963 (CAS 347329-85-5), with molecular formula C28H31NO4 and molecular weight 445.23 g/mol. IUPAC: 2-phenylethyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2558/0108963
Property Insights of A2558/0108963
The XLogP value of 5.2276 indicates that A2558/0108963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A2558/0108963. Following Lipinski's Rule of Five, A2558/0108963 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 A2558/0108963?
The CAS number of A2558/0108963 is 347329-85-5.
What is the molecular formula of A2558/0108963?
The molecular formula of A2558/0108963 is C28H31NO4.
What is the molecular weight of A2558/0108963?
The molecular weight of A2558/0108963 is 445.23 g/mol.
Where can I buy A2558/0108963?
You can request a quote for A2558/0108963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2558/0108963?
Yes, KEHONG BIO provides custom synthesis services for A2558/0108963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.