3-pyridinecarboxylic acid,2,5-dimethyl
TL;DR: 3-pyridinecarboxylic acid,2,5-dimethyl (CAS 129477-59-4) is a chemical compound with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
Also Known As: 3-pyridinecarboxylic acid,2,5-dimethyl, 2-Piperazinecarboxylic acid, 1,4-bis(3,4,5-trimethoxybenzoyl)-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-(2'-isopropyl-5'-methyl)cyclohexyloxycarbonylpiperazine, (5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate, 5-Methyl-2-(propan-2-yl)cyclohexyl 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
| Molecular Formula | C35H48N2O10 |
|---|---|
| Molecular Weight | 656.33 g/mol |
| LogP | 4.709 |
| Topological Polar Surface Area | 122.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 656.3309 |
| Heavy Atoms | 47 |
| Complexity | 1393.4236 |
Chemical Identifiers
| CAS Number | 129477-59-4 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C2CN(CCN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C(C)C |
Product Overview
3-pyridinecarboxylic acid,2,5-dimethyl (CAS 129477-59-4), with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate.
Chemical Property Profile of 3-pyridinecarboxylic acid,2,5-dimethyl
Property Insights of 3-pyridinecarboxylic acid,2,5-dimethyl
The XLogP value of 4.709 indicates that 3-pyridinecarboxylic acid,2,5-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-pyridinecarboxylic acid,2,5-dimethyl. Following Lipinski's Rule of Five, 3-pyridinecarboxylic acid,2,5-dimethyl has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-pyridinecarboxylic acid,2,5-dimethyl?
The CAS number of 3-pyridinecarboxylic acid,2,5-dimethyl is 129477-59-4.
What is the molecular formula of 3-pyridinecarboxylic acid,2,5-dimethyl?
The molecular formula of 3-pyridinecarboxylic acid,2,5-dimethyl is C35H48N2O10.
What is the molecular weight of 3-pyridinecarboxylic acid,2,5-dimethyl?
The molecular weight of 3-pyridinecarboxylic acid,2,5-dimethyl is 656.33 g/mol.
Where can I buy 3-pyridinecarboxylic acid,2,5-dimethyl?
You can request a quote for 3-pyridinecarboxylic acid,2,5-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridinecarboxylic acid,2,5-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridinecarboxylic acid,2,5-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.