NCI60_016556
TL;DR: NCI60_016556 (CAS 55222-49-6) is a chemical compound with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-(4-methoxyphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea
Also Known As: NCI60_016556, 2-[2-(1,3-Dihydro-3-oxo-1-isobenzofuranyl)-1-(4-methoxyphenyl)ethylidene]hydrazinecarboxamide, [[1-(4-methoxyphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea, 2-[1-(4-Methoxyphenyl)-2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)ethylidene]hydrazine-1-carboxamide, 2-[1-(4-methoxyphenyl)-2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)ethylidene]hydrazinecarboxamide
| Molecular Formula | C18H17N3O4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.12192 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 55222-49-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=NNC(=O)N)CC2C3=CC=CC=C3C(=O)O2 |
| InChIKey | BTEQIWOOAIBYES-UHFFFAOYSA-N |
Product Overview
NCI60_016556 (CAS 55222-49-6), with molecular formula C18H17N3O4 and molecular weight 339.12 g/mol. IUPAC: [[1-(4-methoxyphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea.
Chemical Property Profile of NCI60_016556
Property Insights of NCI60_016556
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_016556. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_016556. Following Lipinski's Rule of Five, NCI60_016556 has 2 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_016556?
The CAS number of NCI60_016556 is 55222-49-6.
What is the molecular formula of NCI60_016556?
The molecular formula of NCI60_016556 is C18H17N3O4.
What is the molecular weight of NCI60_016556?
The molecular weight of NCI60_016556 is 339.12 g/mol.
Where can I buy NCI60_016556?
You can request a quote for NCI60_016556 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_016556?
Yes, KEHONG BIO provides custom synthesis services for NCI60_016556 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.