1-methyl-3-hydroxymethyl-3-phenylpyrrolidine
TL;DR: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 20633-97-0) is a chemical compound with molecular formula C21H22N6 and molecular weight 358.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-6-[(2,3,5,6-tetramethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine, J1.588.566A, 4-((3-Amino-5-((2,3,5,6-tetramethylphenyl)methyl)1,3,5-triazin-2-yl)amino)benzenecarbonitrile, 4-[[4-amino-6-[(2,3,5,6-tetramethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile, 4-{[4-amino-6-(2,3,5,6-tetramethylbenzyl)-1,3,5-triazin-2-yl]amino}benzonitrile
| Molecular Formula | C21H22N6 |
|---|---|
| Molecular Weight | 358.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.19058 |
| Heavy Atoms | 27 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 20633-97-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C)C |
| InChIKey | JLFIGWIBNSPGAG-UHFFFAOYSA-N |
Product Overview
1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 20633-97-0), with molecular formula C21H22N6 and molecular weight 358.19 g/mol. IUPAC: 4-[[4-amino-6-[(2,3,5,6-tetramethylphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile.
Chemical Property Profile of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine
Property Insights of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine
The XLogP value of 4.6 indicates that 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine. Following Lipinski's Rule of Five, 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine has 2 hydrogen bond donor(s) and 6 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-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The CAS number of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is 20633-97-0.
What is the molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is C21H22N6.
What is the molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is 358.19 g/mol.
Where can I buy 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
You can request a quote for 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.