Dimethyl4-fluorophthalate
TL;DR: Dimethyl4-fluorophthalate (CAS 110714-64-2) is a chemical compound with molecular formula C29H25NO6 and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-methyl 5-O-prop-2-ynyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Dimethyl4-fluorophthalate, Methyl propargyl 2,6-dimethyl-4-(3-methylflavon-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-, methyl 2-propynyl ester, 3,5-Pyridinedicarboxylicacid,1,4-dihydro-2,6-dimethyl-4-(3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-yl)-,3-methyl 5-(2-propyn-1-yl) ester, 3-O-methyl 5-O-prop-2-ynyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C29H25NO6 |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 4.35262 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 483.16818 |
| Heavy Atoms | 36 |
| Complexity | 1535.7131 |
Chemical Identifiers
| CAS Number | 110714-64-2 |
|---|---|
| SMILES | CC1=C(OC2=C(C1=O)C=CC=C2C3C(=C(NC(=C3C(=O)OCC#C)C)C)C(=O)OC)C4=CC=CC=C4 |
Product Overview
Dimethyl4-fluorophthalate (CAS 110714-64-2), with molecular formula C29H25NO6 and molecular weight 483.17 g/mol. IUPAC: 3-O-methyl 5-O-prop-2-ynyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl4-fluorophthalate
Property Insights of Dimethyl4-fluorophthalate
The XLogP value of 4.35262 indicates that Dimethyl4-fluorophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl4-fluorophthalate. Following Lipinski's Rule of Five, Dimethyl4-fluorophthalate has 1 hydrogen bond donor(s) and 7 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 Dimethyl4-fluorophthalate?
The CAS number of Dimethyl4-fluorophthalate is 110714-64-2.
What is the molecular formula of Dimethyl4-fluorophthalate?
The molecular formula of Dimethyl4-fluorophthalate is C29H25NO6.
What is the molecular weight of Dimethyl4-fluorophthalate?
The molecular weight of Dimethyl4-fluorophthalate is 483.17 g/mol.
Where can I buy Dimethyl4-fluorophthalate?
You can request a quote for Dimethyl4-fluorophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl4-fluorophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl4-fluorophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.