2-Lithio-1-methyl-1,3-benzazaphosphol
TL;DR: 2-Lithio-1-methyl-1,3-benzazaphosphol (CAS 84761-69-3) is a chemical compound with molecular formula C20H22F3NO7S and molecular weight 477.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,6-dimethyl-4-[2-(trifluoromethylsulfonyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 2-Lithio-1-methyl-1,3-benzazaphosphol, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(o-hydroxyphenyl)-, diethyl ester, trifluoromethanesulfonate (ester), diethyl 2,6-dimethyl-4-[2-(trifluoromethylsulfonyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate, 2,6-Dimethyl-4-[2-(trifluoromethylsulfonyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester, 3,5-diethyl 2,6-dimethyl-4-[2-(trifluoromethanesulfonyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H22F3NO7S |
|---|---|
| Molecular Weight | 477.11 g/mol |
| LogP | 3.276 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.1069 |
| Heavy Atoms | 32 |
| Complexity | 1034.9094 |
Chemical Identifiers
| CAS Number | 84761-69-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2OS(=O)(=O)C(F)(F)F)C(=O)OCC)C)C |
Product Overview
2-Lithio-1-methyl-1,3-benzazaphosphol (CAS 84761-69-3), with molecular formula C20H22F3NO7S and molecular weight 477.11 g/mol. IUPAC: diethyl 2,6-dimethyl-4-[2-(trifluoromethylsulfonyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 2-Lithio-1-methyl-1,3-benzazaphosphol
Property Insights of 2-Lithio-1-methyl-1,3-benzazaphosphol
The XLogP value of 3.276 indicates that 2-Lithio-1-methyl-1,3-benzazaphosphol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Lithio-1-methyl-1,3-benzazaphosphol. Following Lipinski's Rule of Five, 2-Lithio-1-methyl-1,3-benzazaphosphol has 1 hydrogen bond donor(s) and 8 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 2-Lithio-1-methyl-1,3-benzazaphosphol?
The CAS number of 2-Lithio-1-methyl-1,3-benzazaphosphol is 84761-69-3.
What is the molecular formula of 2-Lithio-1-methyl-1,3-benzazaphosphol?
The molecular formula of 2-Lithio-1-methyl-1,3-benzazaphosphol is C20H22F3NO7S.
What is the molecular weight of 2-Lithio-1-methyl-1,3-benzazaphosphol?
The molecular weight of 2-Lithio-1-methyl-1,3-benzazaphosphol is 477.11 g/mol.
Where can I buy 2-Lithio-1-methyl-1,3-benzazaphosphol?
You can request a quote for 2-Lithio-1-methyl-1,3-benzazaphosphol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Lithio-1-methyl-1,3-benzazaphosphol?
Yes, KEHONG BIO provides custom synthesis services for 2-Lithio-1-methyl-1,3-benzazaphosphol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.