2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate
TL;DR: 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate (CAS 33363-00-7) is a chemical compound with molecular formula C27H35NO9 and molecular weight 517.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate, 4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate 2-hydroxypropane-1,2,3-tricarboxylate(1:1), Propionic acid, 2,2-diphenyl-, 3-(dimethylamino)-1-methylpropyl ester, citrate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate (1/1), 4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate,2-hydroxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C27H35NO9 |
|---|---|
| Molecular Weight | 517.23 g/mol |
| LogP | 2.6275 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 517.2312 |
| Heavy Atoms | 37 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 33363-00-7 |
|---|---|
| SMILES | CC(CCN(C)C)OC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | SGNPLZGGQATNPD-UHFFFAOYSA-N |
Product Overview
2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate (CAS 33363-00-7), with molecular formula C27H35NO9 and molecular weight 517.23 g/mol. IUPAC: 4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate
Property Insights of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate
The XLogP value of 2.6275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate. The TPSA of 162.0 Ų indicates high polarity, suggesting 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate has 4 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 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate?
The CAS number of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate is 33363-00-7.
What is the molecular formula of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate?
The molecular formula of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate is C27H35NO9.
What is the molecular weight of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate?
The molecular weight of 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate is 517.23 g/mol.
Where can I buy 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate?
You can request a quote for 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenylpropionic acid 3-(dimethylamino)-1-methylpropyl ester citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.