3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one (CAS 301159-80-8) is a chemical compound with molecular formula C20H17NO3S and molecular weight 351.09 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-methoxy-2-methylchromen-4-one
Also Known As: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one, BAS 01057707, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-one, 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one, F0308-0805
| Molecular Formula | C20H17NO3S |
|---|---|
| Molecular Weight | 351.09 g/mol |
| LogP | 4.94912 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.09293 |
| Heavy Atoms | 25 |
| Complexity | 1123.9885 |
Chemical Identifiers
| CAS Number | 301159-80-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC)OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C |
Product Overview
3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one (CAS 301159-80-8), with molecular formula C20H17NO3S and molecular weight 351.09 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one
The XLogP value of 4.94912 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one has 0 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-methoxy-2-methyl-4H-chromen-4-one?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one is 301159-80-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one is C20H17NO3S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one is 351.09 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-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-methoxy-2-methyl-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-methoxy-2-methyl-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.