1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
TL;DR: 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride (CAS 102584-37-2) is a chemical compound with molecular formula C13H16BrClN2O2 and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[(4-bromophenyl)methyl]-5-iminopyrrolidine-2-carboxylate;hydrochloride
Also Known As: 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride, 2-Pyrrolidinecarboxylic acid, 1-(p-bromobenzyl)-5-imino-, methyl ester, hydrochloride, Methyl 1-[(4-bromophenyl)methyl]-5-iminoprolinate--hydrogen chloride (1/1), methyl 1-[(4-bromophenyl)methyl]-5-iminopyrrolidine-2-carboxylate hydrochloride, RefChem:266742
| Molecular Formula | C13H16BrClN2O2 |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 2.98557 |
| Topological Polar Surface Area | 53.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.00836 |
| Heavy Atoms | 19 |
| Complexity | 464.21594 |
Chemical Identifiers
| CAS Number | 102584-37-2 |
|---|---|
| SMILES | COC(=O)C1CCC(=N)N1CC2=CC=C(C=C2)Br.Cl |
Product Overview
1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride (CAS 102584-37-2), with molecular formula C13H16BrClN2O2 and molecular weight 346.01 g/mol. IUPAC: methyl 1-[(4-bromophenyl)methyl]-5-iminopyrrolidine-2-carboxylate;hydrochloride.
Chemical Property Profile of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
Property Insights of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
The XLogP value of 2.98557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride. With a topological polar surface area (TPSA) of 53.39 Ų, 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride 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 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The CAS number of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is 102584-37-2.
What is the molecular formula of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The molecular formula of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is C13H16BrClN2O2.
What is the molecular weight of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The molecular weight of 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is 346.01 g/mol.
Where can I buy 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
You can request a quote for 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Bromobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.