ChemDiv1_002373
TL;DR: ChemDiv1_002373 (CAS 313379-45-2) is a chemical compound with molecular formula C26H30N2O3S2 and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_002373, BAS 01108049, ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H30N2O3S2 |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 5.52588 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.1698 |
| Heavy Atoms | 33 |
| Complexity | 1028.5011 |
Chemical Identifiers
| CAS Number | 313379-45-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)C34CC5CC(C3)CC(C5)C4)C |
Product Overview
ChemDiv1_002373 (CAS 313379-45-2), with molecular formula C26H30N2O3S2 and molecular weight 482.17 g/mol. IUPAC: ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_002373
Property Insights of ChemDiv1_002373
The XLogP value of 5.52588 indicates that ChemDiv1_002373 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002373. Following Lipinski's Rule of Five, ChemDiv1_002373 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002373?
The CAS number of ChemDiv1_002373 is 313379-45-2.
What is the molecular formula of ChemDiv1_002373?
The molecular formula of ChemDiv1_002373 is C26H30N2O3S2.
What is the molecular weight of ChemDiv1_002373?
The molecular weight of ChemDiv1_002373 is 482.17 g/mol.
Where can I buy ChemDiv1_002373?
You can request a quote for ChemDiv1_002373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002373?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.