3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one
TL;DR: 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one (CAS 126357-21-9) is a chemical compound with molecular formula C12H7BrN2O2S and molecular weight 321.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-1,3-thiazol-4-yl)-6-bromochromen-2-one
Also Known As: 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one, IFLab1_000986, 3-(2-Amino-thiazol-4-yl)-6-bromo-chromen-2-one, BAS 01020252, 3-(2-amino-1,3-thiazol-4-yl)-6-bromochromen-2-one
| Molecular Formula | C12H7BrN2O2S |
|---|---|
| Molecular Weight | 321.94 g/mol |
| LogP | 3.2612 |
| Topological Polar Surface Area | 69.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.94116 |
| Heavy Atoms | 18 |
| Complexity | 794.1169 |
Chemical Identifiers
| CAS Number | 126357-21-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C=C(C(=O)O2)C3=CSC(=N3)N |
Product Overview
3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one (CAS 126357-21-9), with molecular formula C12H7BrN2O2S and molecular weight 321.94 g/mol. IUPAC: 3-(2-amino-1,3-thiazol-4-yl)-6-bromochromen-2-one.
Chemical Property Profile of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one
Property Insights of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one
The XLogP value of 3.2612 indicates that 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one has 1 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 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one?
The CAS number of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one is 126357-21-9.
What is the molecular formula of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one?
The molecular formula of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one is C12H7BrN2O2S.
What is the molecular weight of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one?
The molecular weight of 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one is 321.94 g/mol.
Where can I buy 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one?
You can request a quote for 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-amino-1,3-thiazol-4-yl)-6-bromo-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.