(2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049981-41-0) is a chemical compound with molecular formula C12H13Cl2NO2 and molecular weight 273.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4R)-4-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid, (2S,4R)-4-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid, (2S,4R)-4-(3,4-dichlorobenzyl)proline, (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylicacid, (2S,4R)-4-[(3,4-dichlorophenyl)methyl]-2-pyrrolidinecarboxylic acid
| Molecular Formula | C12H13Cl2NO2 |
|---|---|
| Molecular Weight | 273.03 g/mol |
| LogP | 2.5986 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.03235 |
| Heavy Atoms | 17 |
| Complexity | 436.51385 |
Chemical Identifiers
| CAS Number | 1049981-41-0 |
|---|---|
| SMILES | C1[C@H](CN[C@@H]1C(=O)O)CC2=CC(=C(C=C2)Cl)Cl |
Product Overview
(2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid (CAS 1049981-41-0), with molecular formula C12H13Cl2NO2 and molecular weight 273.03 g/mol. IUPAC: (2S,4R)-4-[(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid
The XLogP value of 2.5986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid. With a topological polar surface area (TPSA) of 49.33 Ų, (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid is 1049981-41-0.
What is the molecular formula of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid is C12H13Cl2NO2.
What is the molecular weight of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid is 273.03 g/mol.
Where can I buy (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4R)-4-(3,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.