3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one
TL;DR: 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one (CAS 222716-11-2) is a chemical compound with molecular formula C18H13NO3S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one
Also Known As: IFLab1_000644, IDI1_008863, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4H-chromen-4-one, BAS 01057700, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one
| Molecular Formula | C18H13NO3S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 4.3377 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0616 |
| Heavy Atoms | 23 |
| Complexity | 1061.5135 |
Chemical Identifiers
| CAS Number | 222716-11-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1O)OC=C(C2=O)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one (CAS 222716-11-2), with molecular formula C18H13NO3S and molecular weight 323.06 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one.
Chemical Property Profile of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one
Property Insights of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one
The XLogP value of 4.3377 indicates that 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-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)-6-ethyl-7-hydroxychromen-4-one. Following Lipinski's Rule of Five, 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-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)-6-ethyl-7-hydroxychromen-4-one?
The CAS number of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one is 222716-11-2.
What is the molecular formula of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one?
The molecular formula of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one is C18H13NO3S.
What is the molecular weight of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one?
The molecular weight of 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one is 323.06 g/mol.
Where can I buy 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one?
You can request a quote for 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-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)-6-ethyl-7-hydroxychromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzothiazol-2-yl)-6-ethyl-7-hydroxychromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.