1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole
TL;DR: 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole (CAS 13758-34-4) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Also Known As: 6-Methylthio-1,2,3,4-tetrahydro-beta-carboline, 9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-6-methylthio-, 5-23-12-00048 (Beilstein Handbook Reference), 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole, 6-methylsulfanyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 13758-34-4 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)NC3=C2CCNC3 |
| InChIKey | CDKWKTNSSJEIBH-UHFFFAOYSA-N |
Product Overview
1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole (CAS 13758-34-4), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 6-methylsulfanyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
Chemical Property Profile of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole
Property Insights of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole. With a topological polar surface area (TPSA) of 53.1 Ų, 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole has 2 hydrogen bond donor(s) and 2 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 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole?
The CAS number of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole is 13758-34-4.
What is the molecular formula of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole?
The molecular formula of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole is C12H14N2S.
What is the molecular weight of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole?
The molecular weight of 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole is 218.09 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole?
You can request a quote for 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(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 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-6-methylthio-9H-pyrido(3,4-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.