9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-
TL;DR: 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- (CAS 899-80-9) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Also Known As: 6-Benzylthio-1,2,3,4-tetrahydro-1-oxo-beta-carboline, 5-25-02-00105 (Beilstein Handbook Reference), 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-, 6-(benzylsulfanyl)-2,3,4,9-tetrahydro-1h-, A-carbolin-1-one
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 899-80-9 |
|---|---|
| SMILES | C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)SCC4=CC=CC=C4 |
| InChIKey | DENWQNUGTUJDNR-UHFFFAOYSA-N |
Product Overview
9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- (CAS 899-80-9), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 6-benzylsulfanyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one.
Chemical Property Profile of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-
Property Insights of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-
The XLogP value of 3.7 indicates that 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- 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 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-?
The CAS number of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- is 899-80-9.
What is the molecular formula of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-?
The molecular formula of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- is C18H16N2OS.
What is the molecular weight of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-?
The molecular weight of 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- is 308.10 g/mol.
Where can I buy 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-?
You can request a quote for 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Pyrido(3,4-b)indol-1-one, 1,2,3,4-tetrahydro-6-benzylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.