1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
TL;DR: 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride (CAS 102584-38-3) is a chemical compound with molecular formula C13H16Cl2N2O2 and molecular weight 302.05887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate;hydrochloride
Also Known As: 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride, 2-Pyrrolidinecarboxylic acid, 1-(p-chlorobenzyl)-5-imino-, methyl ester, hydrochloride, Methyl 1-[(4-chlorophenyl)methyl]-5-iminoprolinate--hydrogen chloride (1/1), methyl 1-[(4-chlorophenyl)methyl]-5-iminopyrrolidine-2-carboxylate hydrochloride
Technical Specifications
| Molecular Formula | C13H16Cl2N2O2 |
| Molecular Weight | 302.05887 g/mol |
| XLogP | 2.87647 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.05887 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | COC(=O)C1CCC(=N)N1CC2=CC=C(C=C2)Cl.Cl |
| InChIKey | VOMBXUFGNCRPQL-UHFFFAOYSA-N |
Chemical Property Profile of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
Property Insights of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride
The XLogP value of 2.87647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride. With a topological polar surface area (TPSA) of 53.4 Ų, 1-(p-Chlorobenzyl)-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-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The CAS number of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is 102584-38-3.
What is the molecular formula of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The molecular formula of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is C13H16Cl2N2O2.
What is the molecular weight of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
The molecular weight of 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride is 302.05887 g/mol.
Where can I buy 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
You can request a quote for 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride?
Yes, CoreyChem provides custom synthesis services for 1-(p-Chlorobenzyl)-5-imino-2-pyrrolidinecarboxylic acid methyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.