3-Hydroxymethylaminopyrine
TL;DR: 3-Hydroxymethylaminopyrine (CAS 13097-17-1) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: 3-Hydroxymethylaminopyrine, 4-Dimethylamino-3-hydroxymethyl-2-methyl-2-phenyl-3pyrazolin-5-one,, 4-(dimethylamino)-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one, 3-Hydroxymethyl-2-methyl-4-dimethylamino-1-phenyl-3-pyrazol-5-on, 3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 0.7343 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 596.6892 |
Chemical Identifiers
| CAS Number | 13097-17-1 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)N(C)C)CO |
Product Overview
3-Hydroxymethylaminopyrine (CAS 13097-17-1), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: 4-(dimethylamino)-5-(hydroxymethyl)-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 3-Hydroxymethylaminopyrine
Property Insights of 3-Hydroxymethylaminopyrine
The XLogP value of 0.7343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxymethylaminopyrine. With a topological polar surface area (TPSA) of 50.4 Ų, 3-Hydroxymethylaminopyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxymethylaminopyrine has 1 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 3-Hydroxymethylaminopyrine?
The CAS number of 3-Hydroxymethylaminopyrine is 13097-17-1.
What is the molecular formula of 3-Hydroxymethylaminopyrine?
The molecular formula of 3-Hydroxymethylaminopyrine is C13H17N3O2.
What is the molecular weight of 3-Hydroxymethylaminopyrine?
The molecular weight of 3-Hydroxymethylaminopyrine is 247.13 g/mol.
Where can I buy 3-Hydroxymethylaminopyrine?
You can request a quote for 3-Hydroxymethylaminopyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxymethylaminopyrine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxymethylaminopyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.