LY 113174
TL;DR: LY 113174 (CAS 112959-07-6) is a chemical compound with molecular formula C17H10Cl2N2 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-5-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimidine
Also Known As: 8-chloro-5-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimidine, 5H-Indeno(1,2-d)pyrimidine, 8-chloro-5-(4-chlorophenyl)-, 8-Chloro-5-(4-chlorophenyl)-5H-indeno(1,2)pyrimidine, 5H-Indeno[1,2-d]pyrimidine,8-chloro-5-(4-chlorophenyl)-, 8-Chloro-5-(4-chloro-phenyl)-5H-indeno[1,2-d]pyrimidine(LY 113174)
| Molecular Formula | C17H10Cl2N2 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.0221 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 112959-07-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(C=C(C=C3)Cl)C4=NC=NC=C24)Cl |
| InChIKey | ZKGILAGEAKMIIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
LY 113174 (CAS 112959-07-6), with molecular formula C17H10Cl2N2 and molecular weight 312.02 g/mol. IUPAC: 8-chloro-5-(4-chlorophenyl)-5H-indeno[1,2-d]pyrimidine.
Chemical Property Profile of LY 113174
Property Insights of LY 113174
The XLogP value of 4.6 indicates that LY 113174 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.8 Ų, LY 113174 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, LY 113174 has 0 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 LY 113174?
The CAS number of LY 113174 is 112959-07-6.
What is the molecular formula of LY 113174?
The molecular formula of LY 113174 is C17H10Cl2N2.
What is the molecular weight of LY 113174?
The molecular weight of LY 113174 is 312.02 g/mol.
Where can I buy LY 113174?
You can request a quote for LY 113174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LY 113174?
Yes, KEHONG BIO provides custom synthesis services for LY 113174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.