3-(2-Benzothiazolyl)-6-methoxycoumarin
TL;DR: 3-(2-Benzothiazolyl)-6-methoxycoumarin (CAS 245072-50-8) 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)-6-methoxychromen-2-one
Also Known As: 3-(2-Benzothiazolyl)-6-methoxycoumarin, 3-(1,3-benzothiazol-2-yl)-6-methoxychromen-2-one, NCI60_036364, 3-(1,3-benzothiazol-2-yl)-6-methoxy-2H-chromen-2-one, 3-benzothiazol-2-yl-6-methoxychromen-2-one
| Molecular Formula | C17H11NO3S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.04596 |
| Heavy Atoms | 22 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 245072-50-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4S3 |
| InChIKey | HKOKDCKQIDYUFY-UHFFFAOYSA-N |
Product Overview
3-(2-Benzothiazolyl)-6-methoxycoumarin (CAS 245072-50-8), with molecular formula C17H11NO3S and molecular weight 309.05 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-6-methoxychromen-2-one.
Chemical Property Profile of 3-(2-Benzothiazolyl)-6-methoxycoumarin
Property Insights of 3-(2-Benzothiazolyl)-6-methoxycoumarin
The XLogP value of 4.0 indicates that 3-(2-Benzothiazolyl)-6-methoxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Benzothiazolyl)-6-methoxycoumarin. Following Lipinski's Rule of Five, 3-(2-Benzothiazolyl)-6-methoxycoumarin 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-(2-Benzothiazolyl)-6-methoxycoumarin?
The CAS number of 3-(2-Benzothiazolyl)-6-methoxycoumarin is 245072-50-8.
What is the molecular formula of 3-(2-Benzothiazolyl)-6-methoxycoumarin?
The molecular formula of 3-(2-Benzothiazolyl)-6-methoxycoumarin is C17H11NO3S.
What is the molecular weight of 3-(2-Benzothiazolyl)-6-methoxycoumarin?
The molecular weight of 3-(2-Benzothiazolyl)-6-methoxycoumarin is 309.05 g/mol.
Where can I buy 3-(2-Benzothiazolyl)-6-methoxycoumarin?
You can request a quote for 3-(2-Benzothiazolyl)-6-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolyl)-6-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolyl)-6-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.