A2553/0108694
TL;DR: A2553/0108694 (CAS 347316-99-8) 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-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2553/0108694, 2-phenylethyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-{2,7,7-trimethyl-5-oxo-3-[(2-phenylethyl)oxycarbonyl]-4-1,4,6,7,8-pen tahydroquinolyl}benzoate, phenethyl 4-(4-(methoxycarbonyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C29H31NO5 |
|---|---|
| Molecular Weight | 473.22 g/mol |
| LogP | 4.8631 |
| 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 | 347316-99-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OCCC4=CC=CC=C4 |
Product Overview
A2553/0108694 (CAS 347316-99-8), with molecular formula C29H31NO5 and molecular weight 473.22 g/mol. IUPAC: 2-phenylethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2553/0108694
Property Insights of A2553/0108694
The XLogP value of 4.8631 indicates that A2553/0108694 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 A2553/0108694. Following Lipinski's Rule of Five, A2553/0108694 has 1 hydrogen bond donor(s) and 6 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 A2553/0108694?
The CAS number of A2553/0108694 is 347316-99-8.
What is the molecular formula of A2553/0108694?
The molecular formula of A2553/0108694 is C29H31NO5.
What is the molecular weight of A2553/0108694?
The molecular weight of A2553/0108694 is 473.22 g/mol.
Where can I buy A2553/0108694?
You can request a quote for A2553/0108694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2553/0108694?
Yes, KEHONG BIO provides custom synthesis services for A2553/0108694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.