5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol
TL;DR: 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol (CAS 68384-87-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hydroxymethyl)-5-methyl-1-phenylpyrrol-3-yl]methanol
Also Known As: 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol, 1H-Pyrrole-2,3-dimethanol, 5-methyl-1-phenyl-, (5-Methyl-1-phenyl-1H-pyrrole-2,3-diyl)dimethanol, [2-(hydroxymethyl)-5-methyl-1-phenylpyrrol-3-yl]methanol, [2-(hydroxymethyl)-5-methyl-1-phenyl-1H-pyrrol-3-yl]methanol
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 68384-87-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)CO)CO |
| InChIKey | XMMNSXZBSBMXLU-UHFFFAOYSA-N |
Product Overview
5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol (CAS 68384-87-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: [2-(hydroxymethyl)-5-methyl-1-phenylpyrrol-3-yl]methanol.
Chemical Property Profile of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol
Property Insights of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol. With a topological polar surface area (TPSA) of 45.4 Ų, 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol has 2 hydrogen bond donor(s) and 2 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 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol?
The CAS number of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol is 68384-87-2.
What is the molecular formula of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol?
The molecular formula of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol is C13H15NO2.
What is the molecular weight of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol?
The molecular weight of 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol is 217.11 g/mol.
Where can I buy 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol?
You can request a quote for 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-phenyl-1H-pyrrole-2,3-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.