NCI60_018676
TL;DR: NCI60_018676 (CAS 124522-09-4) is a chemical compound with molecular formula C15H9N3O3S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-4-phenyl-10-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-11-carboxylic acid
Also Known As: NCI60_018676, 3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid, 2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylicacid, 3,5-dihydro-3-oxo-2-phenyl-, 3-oxo-2-phenyl-2,3-dihydro-1h-pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid, 3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic acid
| Molecular Formula | C15H9N3O3S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.03647 |
| Heavy Atoms | 22 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 124522-09-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=C(S4)C(=O)O |
| InChIKey | HBGFUURNRFSZLN-UHFFFAOYSA-N |
Product Overview
NCI60_018676 (CAS 124522-09-4), with molecular formula C15H9N3O3S and molecular weight 311.04 g/mol. IUPAC: 5-oxo-4-phenyl-10-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of NCI60_018676
Property Insights of NCI60_018676
The XLogP value of 3.0 indicates that NCI60_018676 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_018676. Following Lipinski's Rule of Five, NCI60_018676 has 2 hydrogen bond donor(s) and 6 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 NCI60_018676?
The CAS number of NCI60_018676 is 124522-09-4.
What is the molecular formula of NCI60_018676?
The molecular formula of NCI60_018676 is C15H9N3O3S.
What is the molecular weight of NCI60_018676?
The molecular weight of NCI60_018676 is 311.04 g/mol.
Where can I buy NCI60_018676?
You can request a quote for NCI60_018676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_018676?
Yes, KEHONG BIO provides custom synthesis services for NCI60_018676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.