Itomanindole A
TL;DR: Itomanindole A (CAS 119556-01-3) is a chemical compound with molecular formula C10H9Br2NOS2 and molecular weight 380.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole
Also Known As: Itomanindole A, NCI60_007939, 4,6-Dibromo-2-(methylsulfinyl)-3-(methylthio)-1H-indole, 4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole, J2.189.716G
| Molecular Formula | C10H9Br2NOS2 |
|---|---|
| Molecular Weight | 380.85 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.84924 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 119556-01-3 |
|---|---|
| SMILES | CSC1=C(NC2=C1C(=CC(=C2)Br)Br)S(=O)C |
| InChIKey | RPUHYZCTFRSRAR-UHFFFAOYSA-N |
Product Overview
Itomanindole A (CAS 119556-01-3), with molecular formula C10H9Br2NOS2 and molecular weight 380.85 g/mol. IUPAC: 4,6-dibromo-3-methylsulfanyl-2-methylsulfinyl-1H-indole.
Chemical Property Profile of Itomanindole A
Property Insights of Itomanindole A
The XLogP value of 3.4 indicates that Itomanindole A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Itomanindole A. Following Lipinski's Rule of Five, Itomanindole A 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 Itomanindole A?
The CAS number of Itomanindole A is 119556-01-3.
What is the molecular formula of Itomanindole A?
The molecular formula of Itomanindole A is C10H9Br2NOS2.
What is the molecular weight of Itomanindole A?
The molecular weight of Itomanindole A is 380.85 g/mol.
Where can I buy Itomanindole A?
You can request a quote for Itomanindole A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Itomanindole A?
Yes, KEHONG BIO provides custom synthesis services for Itomanindole A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.