NCI60_021019
TL;DR: NCI60_021019 (CAS 4927-37-1) is a chemical compound with molecular formula C18H19IN2O6 and molecular weight 486.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-carboxyethyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-iodoanilino]propanoic acid
Also Known As: NCI60_021019, 3-[N-(2-carboxyethyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-iodoanilino]propanoic acid
| Molecular Formula | C18H19IN2O6 |
|---|---|
| Molecular Weight | 486.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.02878 |
| Heavy Atoms | 27 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 4927-37-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C=C1)N(CCC(=O)O)CCC(=O)O)I)C#N |
| InChIKey | RFYOFBUDCPMYBQ-UHFFFAOYSA-N |
Product Overview
NCI60_021019 (CAS 4927-37-1), with molecular formula C18H19IN2O6 and molecular weight 486.03 g/mol. IUPAC: 3-[N-(2-carboxyethyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-2-iodoanilino]propanoic acid.
Chemical Property Profile of NCI60_021019
Property Insights of NCI60_021019
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_021019. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_021019. Following Lipinski's Rule of Five, NCI60_021019 has 2 hydrogen bond donor(s) and 8 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_021019?
The CAS number of NCI60_021019 is 4927-37-1.
What is the molecular formula of NCI60_021019?
The molecular formula of NCI60_021019 is C18H19IN2O6.
What is the molecular weight of NCI60_021019?
The molecular weight of NCI60_021019 is 486.03 g/mol.
Where can I buy NCI60_021019?
You can request a quote for NCI60_021019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_021019?
Yes, KEHONG BIO provides custom synthesis services for NCI60_021019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.