Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride
TL;DR: Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride (CAS 4169-38-4) is a chemical compound with molecular formula C24H32ClN3O2 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide chloride
Also Known As: 1,1-Bis((2,6-xylylcarbamoyl)methyl)pyrrolidinium chloride, Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride, 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide chloride, 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide,chloride, RefChem:378116
| Molecular Formula | C24H32ClN3O2 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 1.11208 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.2183 |
| Heavy Atoms | 30 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 4169-38-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C[N+]2(CCCC2)CC(=O)NC3=C(C=CC=C3C)C.[Cl-] |
| InChIKey | CZDQSLURYJDTOK-UHFFFAOYSA-N |
Product Overview
Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride (CAS 4169-38-4), with molecular formula C24H32ClN3O2 and molecular weight 429.22 g/mol. IUPAC: 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide chloride.
Chemical Property Profile of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride
Property Insights of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride
The XLogP value of 1.11208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride. With a topological polar surface area (TPSA) of 58.2 Ų, Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride 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
Frequently Asked Questions
What is the CAS number of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride?
The CAS number of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride is 4169-38-4.
What is the molecular formula of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride?
The molecular formula of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride is C24H32ClN3O2.
What is the molecular weight of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride?
The molecular weight of Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride is 429.22 g/mol.
Where can I buy Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride?
You can request a quote for Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1,1-bis((2,6-xylylcarbamoyl)methyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.