NCI60_029312
TL;DR: NCI60_029312 (CAS 95059-18-0) is a chemical compound with molecular formula C17H14N4O2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile
Also Known As: NCI60_029312, 3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile, 2-imino-4,8-dimethyl-6-phenyl-3,5-dioxabicyclo[2.2.2]octane-1,7,7-tricarbonitrile, 3-Imino-1,7-dimethyl-5-phenyl-2,6-dioxa-bicyclo[2.2.2]octane-4,8,8-tricarbonitrile
| Molecular Formula | C17H14N4O2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.11166 |
| Heavy Atoms | 23 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 95059-18-0 |
|---|---|
| SMILES | CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CC=C3)C |
| InChIKey | YNQTYKJCVYDGNT-UHFFFAOYSA-N |
Product Overview
NCI60_029312 (CAS 95059-18-0), with molecular formula C17H14N4O2 and molecular weight 306.11 g/mol. IUPAC: 3-imino-1,7-dimethyl-5-phenyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile.
Chemical Property Profile of NCI60_029312
Property Insights of NCI60_029312
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_029312. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029312. Following Lipinski's Rule of Five, NCI60_029312 has 1 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_029312?
The CAS number of NCI60_029312 is 95059-18-0.
What is the molecular formula of NCI60_029312?
The molecular formula of NCI60_029312 is C17H14N4O2.
What is the molecular weight of NCI60_029312?
The molecular weight of NCI60_029312 is 306.11 g/mol.
Where can I buy NCI60_029312?
You can request a quote for NCI60_029312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_029312?
Yes, KEHONG BIO provides custom synthesis services for NCI60_029312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.