2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid
TL;DR: 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid (CAS 302551-90-2) is a chemical compound with molecular formula C18H11NO5S and molecular weight 353.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetic acid
Also Known As: 2-(3-benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid, 2-(3-benzothiazol-2-yl-2-oxo-chromen-7-yl)oxyacetic Acid, {[3-(1,3-benzothiazol-2-yl)-2-oxo-2H-chromen-7-yl]oxy}acetic acid, 2-((3-(benzo[d]thiazol-2-yl)-2-oxo-2H-chromen-7-yl)oxy)acetic acid
| Molecular Formula | C18H11NO5S |
|---|---|
| Molecular Weight | 353.04 g/mol |
| LogP | 3.5331 |
| Topological Polar Surface Area | 89.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0358 |
| Heavy Atoms | 25 |
| Complexity | 1128.0234 |
Chemical Identifiers
| CAS Number | 302551-90-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)OCC(=O)O)OC3=O |
Product Overview
2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid (CAS 302551-90-2), with molecular formula C18H11NO5S and molecular weight 353.04 g/mol. IUPAC: 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetic acid.
Chemical Property Profile of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid
Property Insights of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid
The XLogP value of 3.5331 indicates that 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid. Following Lipinski's Rule of Five, 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid has 1 hydrogen bond donor(s) and 6 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 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid?
The CAS number of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid is 302551-90-2.
What is the molecular formula of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid?
The molecular formula of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid is C18H11NO5S.
What is the molecular weight of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid?
The molecular weight of 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid is 353.04 g/mol.
Where can I buy 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid?
You can request a quote for 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Benzothiazol-2-yl-2-oxochromen-7-yloxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.