3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride
TL;DR: 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride (CAS 68484-05-9) is a chemical compound with molecular formula C22H30Cl2N2O5 and molecular weight 472.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzyl-5-[3-(dimethylamino)propoxy]-6-methylpyridine-3,4-dicarboxylate;dihydrochloride
Also Known As: 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride, Dimethyl 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-3,4-pyridinedicarboxylate 2HCl, dimethyl 2-benzyl-5-[3-(dimethylamino)propoxy]-6-methylpyridine-3,4-dicarboxylate dihydrochloride, Dimethyl 2-benzyl-5-[3-(dimethylamino)propoxy]-6-methylpyridine-3,4-dicarboxylate--hydrogen chloride (1/2), RefChem:271326
| Molecular Formula | C22H30Cl2N2O5 |
|---|---|
| Molecular Weight | 472.15 g/mol |
| LogP | 3.72812 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.15317 |
| Heavy Atoms | 31 |
| Complexity | 860.7249 |
Chemical Identifiers
| CAS Number | 68484-05-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)CC2=CC=CC=C2)C(=O)OC)C(=O)OC)OCCCN(C)C.Cl.Cl |
Product Overview
3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride (CAS 68484-05-9), with molecular formula C22H30Cl2N2O5 and molecular weight 472.15 g/mol. IUPAC: dimethyl 2-benzyl-5-[3-(dimethylamino)propoxy]-6-methylpyridine-3,4-dicarboxylate;dihydrochloride.
Chemical Property Profile of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride
Property Insights of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride
The XLogP value of 3.72812 indicates that 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride. Following Lipinski's Rule of Five, 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride has 0 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 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride?
The CAS number of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride is 68484-05-9.
What is the molecular formula of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride?
The molecular formula of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride is C22H30Cl2N2O5.
What is the molecular weight of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride?
The molecular weight of 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride is 472.15 g/mol.
Where can I buy 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride?
You can request a quote for 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Pyridinedicarboxylic acid, 5-(3-(dimethylamino)propoxy)-6-methyl-2-(phenylmethyl)-, dimethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.