A3564/0151179
TL;DR: A3564/0151179 (CAS 696604-00-9) is a chemical compound with molecular formula C27H32FNO4 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: A3564/0151179, 3,5-Dimethyl 4-(3-fluorophenyl)-1,4-dihydro-1-(2-tricyclo[3.3.1.13,7]dec-1-ylethyl)-3,5-pyridinedicarboxylate, dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate, 3,5-DIMETHYL 1-[2-(ADAMANTAN-1-YL)ETHYL]-4-(3-FLUOROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C27H32FNO4 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 4.9452 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.23154 |
| Heavy Atoms | 33 |
| Complexity | 943.8444 |
Chemical Identifiers
| CAS Number | 696604-00-9 |
|---|---|
| SMILES | COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)F)C(=O)OC)CCC34CC5CC(C3)CC(C5)C4 |
Product Overview
A3564/0151179 (CAS 696604-00-9), with molecular formula C27H32FNO4 and molecular weight 453.23 g/mol. IUPAC: dimethyl 1-[2-(1-adamantyl)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of A3564/0151179
Property Insights of A3564/0151179
The XLogP value of 4.9452 indicates that A3564/0151179 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, A3564/0151179 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3564/0151179 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 A3564/0151179?
The CAS number of A3564/0151179 is 696604-00-9.
What is the molecular formula of A3564/0151179?
The molecular formula of A3564/0151179 is C27H32FNO4.
What is the molecular weight of A3564/0151179?
The molecular weight of A3564/0151179 is 453.23 g/mol.
Where can I buy A3564/0151179?
You can request a quote for A3564/0151179 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3564/0151179?
Yes, KEHONG BIO provides custom synthesis services for A3564/0151179 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.