1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-
TL;DR: 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- (CAS 5044-20-2) is a chemical compound with molecular formula C13H15N and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,5-dimethylpyrrole
Also Known As: 1-benzyl-2,5-dimethylpyrrole, 1-benzyl-2,5-dimethyl-1H-pyrrole, 2,5-dimethyl-1-benzylpyrrole, 1-benzyl-2,5-dimethyl-pyrrole, 2,5-dimethyl-N-benzylpyrrole
| Molecular Formula | C13H15N |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.12045 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 5044-20-2 |
|---|---|
| SMILES | CC1=CC=C(N1CC2=CC=CC=C2)C |
| InChIKey | RNXMFQXZASNQHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- (CAS 5044-20-2), with molecular formula C13H15N and molecular weight 185.12 g/mol. IUPAC: 1-benzyl-2,5-dimethylpyrrole.
Chemical Property Profile of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-
Property Insights of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-
The XLogP value of 3.1 indicates that 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.9 Ų, 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- has 0 hydrogen bond donor(s) and 0 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 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-?
The CAS number of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- is 5044-20-2.
What is the molecular formula of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-?
The molecular formula of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- is C13H15N.
What is the molecular weight of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-?
The molecular weight of 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- is 185.12 g/mol.
Where can I buy 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-?
You can request a quote for 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2,5-dimethyl-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.