Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)
TL;DR: Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) (CAS 4838-44-2) is a chemical compound with molecular formula C25H31NO6 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) propanoate;oxalic acid
Also Known As: 1,1-Diphenyl-2-methyl-3-pyrrolidyl-1-propionyloxypropane oxalate, alpha,alpha-Diphenyl-beta-methyl-1-pyrrolidinepropanol propionate oxalate, 1-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-methyl-, propionate, oxalate, Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1), (2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) propanoate; oxalic acid
| Molecular Formula | C25H31NO6 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.7709 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 441.21515 |
| Heavy Atoms | 32 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 4838-44-2 |
|---|---|
| SMILES | CCC(=O)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCC3.C(=O)(C(=O)O)O |
| InChIKey | NKPXFDZBYHMODZ-UHFFFAOYSA-N |
Product Overview
Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) (CAS 4838-44-2), with molecular formula C25H31NO6 and molecular weight 441.22 g/mol. IUPAC: (2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) propanoate;oxalic acid.
Chemical Property Profile of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)
Property Insights of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)
The XLogP value of 3.7709 indicates that Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1). Following Lipinski's Rule of Five, Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) has 2 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 Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)?
The CAS number of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) is 4838-44-2.
What is the molecular formula of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)?
The molecular formula of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) is C25H31NO6.
What is the molecular weight of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)?
The molecular weight of Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) is 441.22 g/mol.
Where can I buy Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)?
You can request a quote for Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl propanoate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.