NCI60_009157
TL;DR: NCI60_009157 (CAS 1033772-50-7) is a chemical compound with molecular formula C28H28BrN3O10 and molecular weight 645.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4-triacetyloxy-6-[(6-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-5-oxohexyl] acetate
Also Known As: NCI60_009157, [2,3,4-triacetoxy-6-[(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-5-oxo-hexyl] acetate, [2,3,4-triacetyloxy-6-[(6-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-5-oxohexyl] acetate, 3,4,5,6-Tetra-O-acetyl-1-((6-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)-1-deoxyhex-2-ulose
| Molecular Formula | C28H28BrN3O10 |
|---|---|
| Molecular Weight | 645.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 645.0958 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 1033772-50-7 |
|---|---|
| SMILES | CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | KYMAPFVXGBCRTQ-UHFFFAOYSA-N |
Product Overview
NCI60_009157 (CAS 1033772-50-7), with molecular formula C28H28BrN3O10 and molecular weight 645.10 g/mol. IUPAC: [2,3,4-triacetyloxy-6-[(6-bromo-4-oxo-2-phenylquinazolin-3-yl)amino]-5-oxohexyl] acetate.
Chemical Property Profile of NCI60_009157
Property Insights of NCI60_009157
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_009157. The TPSA of 167.0 Ų indicates high polarity, suggesting NCI60_009157 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_009157 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_009157?
The CAS number of NCI60_009157 is 1033772-50-7.
What is the molecular formula of NCI60_009157?
The molecular formula of NCI60_009157 is C28H28BrN3O10.
What is the molecular weight of NCI60_009157?
The molecular weight of NCI60_009157 is 645.10 g/mol.
Where can I buy NCI60_009157?
You can request a quote for NCI60_009157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_009157?
Yes, KEHONG BIO provides custom synthesis services for NCI60_009157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.