Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride
TL;DR: Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride (CAS 100792-96-9) is a chemical compound with molecular formula C14H20Cl3N and molecular weight 307.06613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-bis(chloromethyl)-1-[(4-methylphenyl)methyl]pyrrolidine;hydrochloride
Also Known As: PYRIDIN-4-YL-METHANETHIOL, 2,5-Bis(chloromethyl)-1-(p-methylbenzyl)pyrrolidine hydrochloride, Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride, Pyrrolidine,2,5-bis(chloromethyl)-1-(p-methylbenzyl)-,hydrochloride, 2,5-bis(chloromethyl)-1-[(4-methylphenyl)methyl]pyrrolidine hydrochloride
Technical Specifications
| Molecular Formula | C14H20Cl3N |
| Molecular Weight | 307.06613 g/mol |
| XLogP | 4.22742 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06613 Da |
| Heavy Atoms | 18 |
| Complexity | 214.0 |
| SMILES | CC1=CC=C(C=C1)CN2C(CCC2CCl)CCl.Cl |
| InChIKey | QGSGMSAXYCHPPV-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride
Property Insights of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride
The XLogP value of 4.22742 indicates that Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride?
The CAS number of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride is 100792-96-9.
What is the molecular formula of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride?
The molecular formula of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride is C14H20Cl3N.
What is the molecular weight of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride?
The molecular weight of Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride is 307.06613 g/mol.
Where can I buy Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride?
You can request a quote for Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Pyrrolidine, 2,5-bis(chloromethyl)-1-(p-methylbenzyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.