Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester
TL;DR: Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester (CAS 102476-69-7) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methylpyrrolidin-2-yl)propyl 2-hydroxy-2,2-diphenylacetate
Also Known As: 2-Pyrrolidinepropanol, 1-methyl-, benzilate, 4-21-00-00118 (Beilstein Handbook Reference), BENZILIC ACID, 3-(1-METHYL-2-PYRROLIDINYL)PROPYL ESTER, 3-(1-Methylpyrrolidin-2-yl)propyl hydroxy(diphenyl)acetate, 3-(1-Methylpyrrolidin-2-yl)propyl hydroxydi(phenyl)acetate
| Molecular Formula | C22H27NO3 |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.1991 |
| Heavy Atoms | 26 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 102476-69-7 |
|---|---|
| SMILES | CN1CCCC1CCCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | CJFOGWRMHWZKCG-UHFFFAOYSA-N |
Product Overview
Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester (CAS 102476-69-7), with molecular formula C22H27NO3 and molecular weight 353.20 g/mol. IUPAC: 3-(1-methylpyrrolidin-2-yl)propyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester
Property Insights of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester
The XLogP value of 3.9 indicates that Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester has 1 hydrogen bond donor(s) and 4 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 Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester?
The CAS number of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester is 102476-69-7.
What is the molecular formula of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester?
The molecular formula of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester is C22H27NO3.
What is the molecular weight of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester?
The molecular weight of Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester is 353.20 g/mol.
Where can I buy Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester?
You can request a quote for Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzilic acid, 3-(1-methyl-2-pyrrolidinyl)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.