NCI60_012689
TL;DR: NCI60_012689 (CAS 134604-46-9) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
Also Known As: NCI60_012689, 2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide, 2-Propenamide, 2-cyano-3-(3,4,5-trihydroxyphenyl)-
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 134604-46-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)N |
| InChIKey | IZDSLPGXLRWXIF-UHFFFAOYSA-N |
Product Overview
NCI60_012689 (CAS 134604-46-9), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: 2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide.
Chemical Property Profile of NCI60_012689
Property Insights of NCI60_012689
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_012689. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_012689. Following Lipinski's Rule of Five, NCI60_012689 has 4 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 NCI60_012689?
The CAS number of NCI60_012689 is 134604-46-9.
What is the molecular formula of NCI60_012689?
The molecular formula of NCI60_012689 is C10H8N2O4.
What is the molecular weight of NCI60_012689?
The molecular weight of NCI60_012689 is 220.05 g/mol.
Where can I buy NCI60_012689?
You can request a quote for NCI60_012689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_012689?
Yes, KEHONG BIO provides custom synthesis services for NCI60_012689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.