3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one (CAS 299953-23-4) is a chemical compound with molecular formula C17H11NO3S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one
Also Known As: IFLab1_001199, IDI1_009066, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one, AB00140468-03, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-4H-chromen-4-one
| Molecular Formula | C17H11NO3S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 4.08372 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.04596 |
| Heavy Atoms | 22 |
| Complexity | 1045.3425 |
Chemical Identifiers
| CAS Number | 299953-23-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one (CAS 299953-23-4), with molecular formula C17H11NO3S and molecular weight 309.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one
The XLogP value of 4.08372 indicates that 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-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-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one is 299953-23-4.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one is C17H11NO3S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one is 309.05 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-7-hydroxy-2-methylchromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.