NCI60_003045
TL;DR: NCI60_003045 (CAS 359768-99-3) is a chemical compound with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
Also Known As: NCI60_003045, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide
| Molecular Formula | C11H9BrN2O3 |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.97964 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 359768-99-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)Br)O |
| InChIKey | QRGSSWYQKGUUQU-UHFFFAOYSA-N |
Product Overview
NCI60_003045 (CAS 359768-99-3), with molecular formula C11H9BrN2O3 and molecular weight 295.98 g/mol. IUPAC: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyanoprop-2-enamide.
Chemical Property Profile of NCI60_003045
Property Insights of NCI60_003045
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003045. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003045. Following Lipinski's Rule of Five, NCI60_003045 has 2 hydrogen bond donor(s) and 4 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_003045?
The CAS number of NCI60_003045 is 359768-99-3.
What is the molecular formula of NCI60_003045?
The molecular formula of NCI60_003045 is C11H9BrN2O3.
What is the molecular weight of NCI60_003045?
The molecular weight of NCI60_003045 is 295.98 g/mol.
Where can I buy NCI60_003045?
You can request a quote for NCI60_003045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003045?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.