A2557/0108901
TL;DR: A2557/0108901 (CAS 347326-06-1) is a chemical compound with molecular formula C29H31NO5 and molecular weight 473.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2557/0108901, 2-phenylethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-phenylethyl 4-[4-(acetyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 4-{2,7,7-trimethyl-5-oxo-3-[(2-phenylethyl)oxycarbonyl]-4-1,4,6,7,8-pentahydro quinolyl}phenyl acetate
| Molecular Formula | C29H31NO5 |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 5.0018 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.2202 |
| Heavy Atoms | 35 |
| Complexity | 1205.3931 |
Chemical Identifiers
| CAS Number | 347326-06-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC(=O)C)C(=O)OCCC4=CC=CC=C4 |
Product Overview
A2557/0108901 (CAS 347326-06-1), with molecular formula C29H31NO5 and molecular weight 473.22 g/mol. IUPAC: 2-phenylethyl 4-(4-acetyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2557/0108901
Property Insights of A2557/0108901
The XLogP value of 5.0018 indicates that A2557/0108901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A2557/0108901. Following Lipinski's Rule of Five, A2557/0108901 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2557/0108901?
The CAS number of A2557/0108901 is 347326-06-1.
What is the molecular formula of A2557/0108901?
The molecular formula of A2557/0108901 is C29H31NO5.
What is the molecular weight of A2557/0108901?
The molecular weight of A2557/0108901 is 473.22 g/mol.
Where can I buy A2557/0108901?
You can request a quote for A2557/0108901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2557/0108901?
Yes, KEHONG BIO provides custom synthesis services for A2557/0108901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.