Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid
TL;DR: Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid (CAS 959577-44-7) is a chemical compound with molecular formula C16H19Cl2NO4 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Also Known As: BOC-(+/-)-TRANS-4-(2,5-DICHLORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, (3S,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid, Boc-(+/-)-trans-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid, (3S,4R)-1-tert-butoxycarbonyl-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylic acid, (3R,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic Acid
| Molecular Formula | C16H19Cl2NO4 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 4.0285 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.06912 |
| Heavy Atoms | 23 |
| Complexity | 626.9965 |
Chemical Identifiers
| CAS Number | 959577-44-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=C(C=CC(=C2)Cl)Cl |
Product Overview
Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid (CAS 959577-44-7), with molecular formula C16H19Cl2NO4 and molecular weight 359.07 g/mol. IUPAC: (3S,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid
Property Insights of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid
The XLogP value of 4.0285 indicates that Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid?
The CAS number of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid is 959577-44-7.
What is the molecular formula of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid?
The molecular formula of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid is C16H19Cl2NO4.
What is the molecular weight of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid?
The molecular weight of Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid is 359.07 g/mol.
Where can I buy Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid?
You can request a quote for Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Boc-(+/-)-trans-4-(2,5-dichloro-phenyl)-pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.