3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
TL;DR: 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine (CAS 173260-84-9) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone
Also Known As: BAS 01152255, BIM-0036104.P001, 3,5-diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine, 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone, 1,1'-[2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-diyl]diethanone
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 173260-84-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CS2)C(=O)C |
| InChIKey | GQFVODNFCHEQTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine (CAS 173260-84-9), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: 1-(5-acetyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridin-3-yl)ethanone.
Chemical Property Profile of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
Property Insights of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine. The TPSA of 74.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine. Following Lipinski's Rule of Five, 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine has 1 hydrogen bond donor(s) and 4 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 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine?
The CAS number of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine is 173260-84-9.
What is the molecular formula of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine?
The molecular formula of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine is C15H17NO2S.
What is the molecular weight of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine?
The molecular weight of 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine is 275.10 g/mol.
Where can I buy 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine?
You can request a quote for 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.