2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol
TL;DR: 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol (CAS 94329-49-4) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1-hydroxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-phenylmethanone
Also Known As: Tei 2117, 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol, [1-(1-hydroxypropan-2-yl)-2,5-dimethyl-1h-pyrrol-3-yl](phenyl)methanone, 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl) 2-methylethanol, 2-(3-benzoyl-2,5-dimethylpyrrol-1-yl)-2-methylethanol
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 94329-49-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C(C)CO)C)C(=O)C2=CC=CC=C2 |
| InChIKey | SQHXEPLSVOTCES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol (CAS 94329-49-4), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: [1-(1-hydroxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-phenylmethanone.
Chemical Property Profile of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol
Property Insights of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol. With a topological polar surface area (TPSA) of 42.2 Ų, 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol has 1 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 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol?
The CAS number of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol is 94329-49-4.
What is the molecular formula of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol?
The molecular formula of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol is C16H19NO2.
What is the molecular weight of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol?
The molecular weight of 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol is 257.14 g/mol.
Where can I buy 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol?
You can request a quote for 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzoyl-2,5-dimethylpyrrol-1-yl)propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.