1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate
TL;DR: 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate (CAS 391867-20-2) is a chemical compound with molecular formula C18H11NO4S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate
Also Known As: (1,3-benzothiazol-2-yl)methyl 2-oxo-2H-chromene-3-carboxylate, 1,3-benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate, benzo[d]thiazol-2-ylmethyl 2-oxo-2H-chromene-3-carboxylate, F0463-0106
| Molecular Formula | C18H11NO4S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.0409 |
| Heavy Atoms | 24 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 391867-20-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=NC4=CC=CC=C4S3 |
| InChIKey | QQMZGVMLKNOZHV-UHFFFAOYSA-N |
Product Overview
1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate (CAS 391867-20-2), with molecular formula C18H11NO4S and molecular weight 337.04 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate.
Chemical Property Profile of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate
Property Insights of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate
The XLogP value of 4.0 indicates that 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate. Following Lipinski's Rule of Five, 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate has 0 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 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate?
The CAS number of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate is 391867-20-2.
What is the molecular formula of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate?
The molecular formula of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate is C18H11NO4S.
What is the molecular weight of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate?
The molecular weight of 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate is 337.04 g/mol.
Where can I buy 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate?
You can request a quote for 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzothiazol-2-ylmethyl 2-oxochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.