1-methyl-3-hydroxymethyl-3-phenylpyrrolidine
TL;DR: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 205381-76-6) is a chemical compound with molecular formula C21H18Cl2N6 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-6-[2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine, 4-[[4-amino-6-[2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]-1,3,5-triazin-2-yl]amino]benzonitrile, Benzonitrile, 4-((4-amino-6-(2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl)-1,3,5-triazin-2-yl)amino)-, Benzonitrile, 4-[[4-amino-6-[2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]-1,3,5-triazin-2-yl]amino]-, 4-({4-[2-Cyclopropyl-1-(2,6-dichlorophenyl)ethyl]-6-imino-1,6-dihydro-1,3,5-triazin-2-yl}amino)benzonitrile
| Molecular Formula | C21H18Cl2N6 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.097 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 205381-76-6 |
|---|---|
| SMILES | C1CC1CC(C2=C(C=CC=C2Cl)Cl)C3=NC(=NC(=N3)NC4=CC=C(C=C4)C#N)N |
| InChIKey | VRKLOWRISOTLDE-UHFFFAOYSA-N |
Product Overview
1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 205381-76-6), with molecular formula C21H18Cl2N6 and molecular weight 424.10 g/mol. IUPAC: 4-[[4-amino-6-[2-cyclopropyl-1-(2,6-dichlorophenyl)ethyl]-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 5.7 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), which may warrant consideration for formulation optimization.
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 205381-76-6.
What is the molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is C21H18Cl2N6.
What is the molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is 424.10 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.