Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid
TL;DR: Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid (CAS 1161787-74-1) is a chemical compound with molecular formula C16H20BrNO4 and molecular weight 369.05756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Also Known As: starbld0008765, Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid, BOC-(+/-)-TRANS-4-(2-BROMO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, Boc-(+/-)-trans-4-(2-bromophenyl)pyrrolidine-3-carboxylic acid, (3S,4R)-4-(2-BROMOPHENYL)-1-(TERT-BUTOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C16H20BrNO4 |
| Molecular Weight | 369.05756 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.05756 Da |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC=CC=C2Br |
| InChIKey | CURUUULGBKMLMR-NWDGAFQWSA-N |
Chemical Property Profile of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid
Property Insights of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid 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
What is the CAS number of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?
The CAS number of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is 1161787-74-1.
What is the molecular formula of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?
The molecular formula of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is C16H20BrNO4.
What is the molecular weight of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?
The molecular weight of Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid is 369.05756 g/mol.
Where can I buy Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?
You can request a quote for Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for Trans-4-(2-bromophenyl)-1-Boc-pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.