NCI60_022953
TL;DR: NCI60_022953 (CAS 158833-77-3) is a chemical compound with molecular formula C27H17BrN2O3S and molecular weight 528.01434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one
Also Known As: NCI60_022953, 2-Amino-4-(4-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H,5H-pyrano[3,2-c]chromen-5-one, 2-amino-4-(4-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one, 2-amino-4-(4-bromophenyl)-3-(4-phenylthiazol-2-yl)-4H-pyrano[3,2-c]chromen-5-one, 2-amino-4-(4-bromophenyl)-3-(4-phenylthiazol-2-yl)pyrano[3,2-c]chromen-5(4H)-one
Technical Specifications
| Molecular Formula | C27H17BrN2O3S |
| Molecular Weight | 528.01434 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 528.01434 Da |
| Heavy Atoms | 34 |
| Complexity | 862.0 |
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=C(C=C5)Br)C(=O)OC6=CC=CC=C64)N |
| InChIKey | AFILLCXHGDJHDS-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_022953
Property Insights of NCI60_022953
The XLogP value of 5.6 indicates that NCI60_022953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_022953. Following Lipinski's Rule of Five, NCI60_022953 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_022953?
The CAS number of NCI60_022953 is 158833-77-3.
What is the molecular formula of NCI60_022953?
The molecular formula of NCI60_022953 is C27H17BrN2O3S.
What is the molecular weight of NCI60_022953?
The molecular weight of NCI60_022953 is 528.01434 g/mol.
Where can I buy NCI60_022953?
You can request a quote for NCI60_022953 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_022953?
Yes, CoreyChem provides custom synthesis services for NCI60_022953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.