1-methyl-3-hydroxymethyl-3-phenylpyrrolidine
TL;DR: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 205381-58-4) is a chemical compound with molecular formula C19H18N6O2 and molecular weight 362.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-6-[(2,3-dimethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine, Benzonitrile, 4-((4-amino-6-((2,3-dimethoxyphenyl)methyl)-1,3,5-triazin-2-yl)amino)-, 4-[[4-amino-6-[(2,3-dimethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile, Benzonitrile, 4-[[4-amino-6-[(2,3-dimethoxyphenyl)methyl]-1,3,5-triazin-2-yl]amino]-, 4-({4-AMINO-6-[(2,3-DIMETHOXYPHENYL)METHYL]-1,3,5-TRIAZIN-2-YL}AMINO)BENZONITRILE
| Molecular Formula | C19H18N6O2 |
|---|---|
| Molecular Weight | 362.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.1491 |
| Heavy Atoms | 27 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 205381-58-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N |
| InChIKey | DQDMMPNKMALLMQ-UHFFFAOYSA-N |
Product Overview
1-methyl-3-hydroxymethyl-3-phenylpyrrolidine (CAS 205381-58-4), with molecular formula C19H18N6O2 and molecular weight 362.15 g/mol. IUPAC: 4-[[4-amino-6-[(2,3-dimethoxyphenyl)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 3.1 indicates that 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 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 8 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 205381-58-4.
What is the molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular formula of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is C19H18N6O2.
What is the molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine?
The molecular weight of 1-methyl-3-hydroxymethyl-3-phenylpyrrolidine is 362.15 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.