![3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester structure](/static/products/1007/1007485-77-9.webp)
3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester (CAS 1007485-77-9) is a chemical compound with molecular formula C39H34BrN3O5 and molecular weight 703.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester, DIBENZYL 4-[3-(3-BROMO-4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]-2,6-DIMETHYL-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE, 3,5-Bis(phenylmethyl) 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C39H34BrN3O5 |
|---|---|
| Molecular Weight | 703.17 g/mol |
| LogP | 8.032 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 703.16815 |
| Heavy Atoms | 48 |
| Complexity | 1926.177 |
Chemical Identifiers
| CAS Number | 1007485-77-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6 |
Product Overview
3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester (CAS 1007485-77-9), with molecular formula C39H34BrN3O5 and molecular weight 703.17 g/mol. IUPAC: dibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester
The XLogP value of 8.032 indicates that 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester 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 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is 1007485-77-9.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is C39H34BrN3O5.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester is 703.17 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, 3,5-bis(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.