NCI60_020942
TL;DR: NCI60_020942 (CAS 158530-99-5) is a chemical compound with molecular formula C13H7N3O and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-16-one
Also Known As: NCI60_020942, 10H-pyrido[4',3':4,5]imidazo[2,1-a]isoindol-10-one, 10H-Pyrido[4',3':4,5]imidazo[2,1-a]isoindol-10-one,
| Molecular Formula | C13H7N3O |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.05891 |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 158530-99-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=NC=C4 |
| InChIKey | HJKJCXCLGQRUCC-UHFFFAOYSA-N |
Product Overview
NCI60_020942 (CAS 158530-99-5), with molecular formula C13H7N3O and molecular weight 221.06 g/mol. IUPAC: 1,4,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-16-one.
Chemical Property Profile of NCI60_020942
Property Insights of NCI60_020942
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_020942. With a topological polar surface area (TPSA) of 47.8 Ų, NCI60_020942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_020942 has 0 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 NCI60_020942?
The CAS number of NCI60_020942 is 158530-99-5.
What is the molecular formula of NCI60_020942?
The molecular formula of NCI60_020942 is C13H7N3O.
What is the molecular weight of NCI60_020942?
The molecular weight of NCI60_020942 is 221.06 g/mol.
Where can I buy NCI60_020942?
You can request a quote for NCI60_020942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_020942?
Yes, KEHONG BIO provides custom synthesis services for NCI60_020942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.