1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole
TL;DR: 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole (CAS 453590-48-2) is a chemical compound with molecular formula C9H12N2 and molecular weight 148.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylpyrrole
Also Known As: 1-methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole, 2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylpyrrole, 1H-Pyrrole, 2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methyl- (9CI)
| Molecular Formula | C9H12N2 |
|---|---|
| Molecular Weight | 148.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.10005 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 453590-48-2 |
|---|---|
| SMILES | CN1C=CC=C1C2=NCCC2 |
| InChIKey | OWXGIVSANKTBEP-UHFFFAOYSA-N |
Product Overview
1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole (CAS 453590-48-2), with molecular formula C9H12N2 and molecular weight 148.10 g/mol. IUPAC: 2-(3,4-dihydro-2H-pyrrol-5-yl)-1-methylpyrrole.
Chemical Property Profile of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole
Property Insights of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole. With a topological polar surface area (TPSA) of 17.3 Ų, 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole 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 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole?
The CAS number of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole is 453590-48-2.
What is the molecular formula of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole?
The molecular formula of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole is C9H12N2.
What is the molecular weight of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole?
The molecular weight of 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole is 148.10 g/mol.
Where can I buy 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole?
You can request a quote for 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4',5'-dihydro-1h,3'h-2,2'-bipyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.