1,7-Dimethylene-2,3-dimethylindole
TL;DR: 1,7-Dimethylene-2,3-dimethylindole (CAS 31401-55-5) 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.
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
Also Known As: 1,7-Dimethylene-2,3-dimethylindole, BAS 00547428, 1,7-ETHYLENE-2,3-DIMETHYLINDOLE, 1,2-Dihydro-4,5-dimethylpyrrolo[3,2,1-hi]indole, 4,5-Dimethyl-1,2-dihydropyrrolo[3,2,1-hi]indole
| Molecular Formula | C12H13N |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.1048 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 31401-55-5 |
|---|---|
| SMILES | CC1=C(N2CCC3=C2C1=CC=C3)C |
| InChIKey | HMDZEAHDWNDDRP-UHFFFAOYSA-N |
Product Overview
1,7-Dimethylene-2,3-dimethylindole (CAS 31401-55-5), with molecular formula C12H13N and molecular weight 171.10 g/mol. IUPAC: 2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene.
Chemical Property Profile of 1,7-Dimethylene-2,3-dimethylindole
Property Insights of 1,7-Dimethylene-2,3-dimethylindole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Dimethylene-2,3-dimethylindole. With a topological polar surface area (TPSA) of 4.9 Ų, 1,7-Dimethylene-2,3-dimethylindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7-Dimethylene-2,3-dimethylindole 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 1,7-Dimethylene-2,3-dimethylindole?
The CAS number of 1,7-Dimethylene-2,3-dimethylindole is 31401-55-5.
What is the molecular formula of 1,7-Dimethylene-2,3-dimethylindole?
The molecular formula of 1,7-Dimethylene-2,3-dimethylindole is C12H13N.
What is the molecular weight of 1,7-Dimethylene-2,3-dimethylindole?
The molecular weight of 1,7-Dimethylene-2,3-dimethylindole is 171.10 g/mol.
Where can I buy 1,7-Dimethylene-2,3-dimethylindole?
You can request a quote for 1,7-Dimethylene-2,3-dimethylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dimethylene-2,3-dimethylindole?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dimethylene-2,3-dimethylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.