Indoline impurity 12
TL;DR: Indoline impurity 12 (CAS 219655-02-4) is a chemical compound with molecular formula C18H16N2OS2 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: Indoline impurity 12, TimTec1_007372, BAS 01248682, 1-Phenyl-2-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-ethanone, 1-phenyl-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
| Molecular Formula | C18H16N2OS2 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0704 |
| Heavy Atoms | 23 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 219655-02-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)C4=CC=CC=C4 |
| InChIKey | GDIZKEDKSJWBFG-UHFFFAOYSA-N |
Product Overview
Indoline impurity 12 (CAS 219655-02-4), with molecular formula C18H16N2OS2 and molecular weight 340.07 g/mol. IUPAC: 1-phenyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of Indoline impurity 12
Property Insights of Indoline impurity 12
The XLogP value of 5.0 indicates that Indoline impurity 12 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Indoline impurity 12. Following Lipinski's Rule of Five, Indoline impurity 12 has 0 hydrogen bond donor(s) and 5 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 Indoline impurity 12?
The CAS number of Indoline impurity 12 is 219655-02-4.
What is the molecular formula of Indoline impurity 12?
The molecular formula of Indoline impurity 12 is C18H16N2OS2.
What is the molecular weight of Indoline impurity 12?
The molecular weight of Indoline impurity 12 is 340.07 g/mol.
Where can I buy Indoline impurity 12?
You can request a quote for Indoline impurity 12 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indoline impurity 12?
Yes, KEHONG BIO provides custom synthesis services for Indoline impurity 12 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.