2,2-Dimethyl-5-phenyl-2H-pyrrole
TL;DR: 2,2-Dimethyl-5-phenyl-2H-pyrrole (CAS 53675-97-1) is a chemical compound with molecular formula C12H13N and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-phenylpyrrole
Also Known As: 2,2-Dimethyl-5-phenyl-2H-pyrrole, 2,2-dimethyl-5-phenylpyrrole, D-1898
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 53675-97-1 |
|---|---|
| SMILES | CC1(C=CC(=N1)C2=CC=CC=C2)C |
| InChIKey | OZYFUWNHCLRCGY-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-5-phenyl-2H-pyrrole (CAS 53675-97-1), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2,2-dimethyl-5-phenylpyrrole.
Chemical Property Profile of 2,2-Dimethyl-5-phenyl-2H-pyrrole
Property Insights of 2,2-Dimethyl-5-phenyl-2H-pyrrole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-phenyl-2H-pyrrole. With a topological polar surface area (TPSA) of 12.4 Ų, 2,2-Dimethyl-5-phenyl-2H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-phenyl-2H-pyrrole has 0 hydrogen bond donor(s) and 1 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 2,2-Dimethyl-5-phenyl-2H-pyrrole?
The CAS number of 2,2-Dimethyl-5-phenyl-2H-pyrrole is 53675-97-1.
What is the molecular formula of 2,2-Dimethyl-5-phenyl-2H-pyrrole?
The molecular formula of 2,2-Dimethyl-5-phenyl-2H-pyrrole is C12H13N.
What is the molecular weight of 2,2-Dimethyl-5-phenyl-2H-pyrrole?
The molecular weight of 2,2-Dimethyl-5-phenyl-2H-pyrrole is 171.10 g/mol.
Where can I buy 2,2-Dimethyl-5-phenyl-2H-pyrrole?
You can request a quote for 2,2-Dimethyl-5-phenyl-2H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-phenyl-2H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-phenyl-2H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.