3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine
TL;DR: 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine (CAS 100507-50-4) is a chemical compound with molecular formula C18H19F2NO3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone
Also Known As: 1-[5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone, 2,6-Dimethyl-3,5-diacetyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine, 3,5-diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine, 1-[5-Acetyl-4-(2-difluoromethoxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridin-3-yl]-ethanone, 1-{5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl}ethan-1-one
| Molecular Formula | C18H19F2NO3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.7008 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.1333 |
| Heavy Atoms | 24 |
| Complexity | 714.3857 |
Chemical Identifiers
| CAS Number | 100507-50-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)C)C2=CC=CC=C2OC(F)F)C(=O)C |
Product Overview
3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine (CAS 100507-50-4), with molecular formula C18H19F2NO3 and molecular weight 335.13 g/mol. IUPAC: 1-[5-acetyl-4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone.
Chemical Property Profile of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine
Property Insights of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine
The XLogP value of 3.7008 indicates that 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-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-difluoromethoxyphenyl)-1,4-dihydropyridine?
The CAS number of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine is 100507-50-4.
What is the molecular formula of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine?
The molecular formula of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine is C18H19F2NO3.
What is the molecular weight of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine?
The molecular weight of 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine is 335.13 g/mol.
Where can I buy 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine?
You can request a quote for 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-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-difluoromethoxyphenyl)-1,4-dihydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-2,6-dimethyl-4-(2-difluoromethoxyphenyl)-1,4-dihydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.