TIOMERGINE
TL;DR: TIOMERGINE (CAS 57935-49-6) is a chemical compound with molecular formula C21H21N3S and molecular weight 347.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-9-(pyridin-2-ylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Tiomergine [INN]
| Molecular Formula | C21H21N3S |
|---|---|
| Molecular Weight | 347.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.14563 |
| Heavy Atoms | 25 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 57935-49-6 |
|---|---|
| SMILES | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)CSC5=CC=CC=N5 |
| InChIKey | VCRAKEDGLIINLR-UHFFFAOYSA-N |
Product Overview
TIOMERGINE (CAS 57935-49-6), with molecular formula C21H21N3S and molecular weight 347.15 g/mol. IUPAC: 7-methyl-9-(pyridin-2-ylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of TIOMERGINE
Property Insights of TIOMERGINE
The XLogP value of 3.6 indicates that TIOMERGINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, TIOMERGINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TIOMERGINE has 1 hydrogen bond donor(s) and 3 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 TIOMERGINE?
The CAS number of TIOMERGINE is 57935-49-6.
What is the molecular formula of TIOMERGINE?
The molecular formula of TIOMERGINE is C21H21N3S.
What is the molecular weight of TIOMERGINE?
The molecular weight of TIOMERGINE is 347.15 g/mol.
Where can I buy TIOMERGINE?
You can request a quote for TIOMERGINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TIOMERGINE?
Yes, KEHONG BIO provides custom synthesis services for TIOMERGINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.