6-Methyllilolidine
TL;DR: 6-Methyllilolidine (CAS 40135-93-1) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
Also Known As: 6-Methyllilolidine, 1,2,5,6-Tetrahydro-6-methyl-4H-pyrrolo[3,2,1-ij]quinoline, 4H-Pyrrolo[3,2,1-ij]quinoline, 1,2,5,6-tetrahydro-6-methyl-, 6-Methyl-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline #, 9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 40135-93-1 |
|---|---|
| SMILES | CC1CCN2CCC3=C2C1=CC=C3 |
| InChIKey | ZVNKPQBRBWFFON-UHFFFAOYSA-N |
Product Overview
6-Methyllilolidine (CAS 40135-93-1), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 9-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene.
Chemical Property Profile of 6-Methyllilolidine
Property Insights of 6-Methyllilolidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyllilolidine. With a topological polar surface area (TPSA) of 3.2 Ų, 6-Methyllilolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyllilolidine 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 6-Methyllilolidine?
The CAS number of 6-Methyllilolidine is 40135-93-1.
What is the molecular formula of 6-Methyllilolidine?
The molecular formula of 6-Methyllilolidine is C12H15N.
What is the molecular weight of 6-Methyllilolidine?
The molecular weight of 6-Methyllilolidine is 173.12 g/mol.
Where can I buy 6-Methyllilolidine?
You can request a quote for 6-Methyllilolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyllilolidine?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyllilolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.