(S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1217654-85-7) is a chemical compound with molecular formula C12H15ClN2O4 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: starbld0000436, (S)-alpha-(2-Nitro-benzyl)-proline-HCl, (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride, (S)-(2-nitrobenzyl)-proline-HCl, 1141AA
| Molecular Formula | C12H15ClN2O4 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 1.7659 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.07202 |
| Heavy Atoms | 19 |
| Complexity | 486.37265 |
Chemical Identifiers
| CAS Number | 1217654-85-7 |
|---|---|
| SMILES | C1C[C@](NC1)(CC2=CC=CC=C2[N+](=O)[O-])C(=O)O.Cl |
Product Overview
(S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1217654-85-7), with molecular formula C12H15ClN2O4 and molecular weight 286.07 g/mol. IUPAC: (2S)-2-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
Chemical Property Profile of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 1.7659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. Following Lipinski's Rule of Five, (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 2 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 (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1217654-85-7.
What is the molecular formula of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C12H15ClN2O4.
What is the molecular weight of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 286.07 g/mol.
Where can I buy (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-Nitrobenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.