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1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
TL;DR: 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole (CAS 6678-85-9) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
Also Known As: 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole, J1.637.883F, 1,1-dimethyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole, 1,1-Dimethyl-1,2,3,4-tetrahydro-beta-carboline, 1,1-Dimethyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 6678-85-9 |
|---|---|
| SMILES | CC1(C2=C(CCN1)C3=CC=CC=C3N2)C |
| InChIKey | WZVZLIGRQSJGAJ-UHFFFAOYSA-N |
Product Overview
1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole (CAS 6678-85-9), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 1,1-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole.
Chemical Property Profile of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
Property Insights of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole. With a topological polar surface area (TPSA) of 27.8 Ų, 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole has 2 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 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The CAS number of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole is 6678-85-9.
What is the molecular formula of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The molecular formula of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole is C13H16N2.
What is the molecular weight of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The molecular weight of 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole is 200.13 g/mol.
Where can I buy 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
You can request a quote for 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.