Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
TL;DR: Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid (CAS 959577-50-5) is a chemical compound with molecular formula C16H20N2O6 and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
Also Known As: Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, BOC-(+/-)-TRANS-4-(3-NITRO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, BOC-(TRANS)-4-(3-NITRO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid, ( inverted exclamation markA)-trans-N-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C16H20N2O6 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 2.6299 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.13214 |
| Heavy Atoms | 24 |
| Complexity | 666.7766 |
Chemical Identifiers
| CAS Number | 959577-50-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid (CAS 959577-50-5), with molecular formula C16H20N2O6 and molecular weight 336.13 g/mol. IUPAC: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
Property Insights of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 2.6299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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 Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is 959577-50-5.
What is the molecular formula of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is C16H20N2O6.
What is the molecular weight of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid is 336.13 g/mol.
Where can I buy Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for Trans-1-Boc-4-(3-nitrophenyl)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 Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Trans-1-Boc-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.