A2558/0108965
TL;DR: A2558/0108965 (CAS 347329-96-8) is a chemical compound with molecular formula C23H22ClNO4 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(4-chlorophenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: A2558/0108965, dimethyl 4-(4-chlorophenyl)-1-(1-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate, Dimethyl 4-(4-chlorophenyl)-1-(1-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxylate #, dimethyl 4-(4-chlorophenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIMETHYL 4-(4-CHLOROPHENYL)-1-(1-PHENYLETHYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
| Molecular Formula | C23H22ClNO4 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.12375 |
| Heavy Atoms | 29 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 347329-96-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC=C(C=C3)Cl)C(=O)OC |
| InChIKey | AOWRPMYTWZIIDH-UHFFFAOYSA-N |
Product Overview
A2558/0108965 (CAS 347329-96-8), with molecular formula C23H22ClNO4 and molecular weight 411.12 g/mol. IUPAC: dimethyl 4-(4-chlorophenyl)-1-(1-phenylethyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of A2558/0108965
Property Insights of A2558/0108965
The XLogP value of 4.5 indicates that A2558/0108965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, A2558/0108965 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2558/0108965 has 0 hydrogen bond donor(s) and 5 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 A2558/0108965?
The CAS number of A2558/0108965 is 347329-96-8.
What is the molecular formula of A2558/0108965?
The molecular formula of A2558/0108965 is C23H22ClNO4.
What is the molecular weight of A2558/0108965?
The molecular weight of A2558/0108965 is 411.12 g/mol.
Where can I buy A2558/0108965?
You can request a quote for A2558/0108965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2558/0108965?
Yes, KEHONG BIO provides custom synthesis services for A2558/0108965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.