3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one
TL;DR: 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one (CAS 70546-18-8) is a chemical compound with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)chromen-2-one
Also Known As: 3-(Benzothiazole-2-yl)-7-(dimethylamino)coumarin, J1.451.960B, 3-benzothiazol-2-yl-7-(dimethylamino)chromen-2-one, 3-benzothiazol-2-yl-7-dimethylamino-chromen-2-one, 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)chromen-2-one
| Molecular Formula | C18H14N2O2S |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 4.1357 |
| Topological Polar Surface Area | 46.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0776 |
| Heavy Atoms | 23 |
| Complexity | 1046.215 |
Chemical Identifiers
| CAS Number | 70546-18-8 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
Product Overview
3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one (CAS 70546-18-8), with molecular formula C18H14N2O2S and molecular weight 322.08 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-(dimethylamino)chromen-2-one.
Chemical Property Profile of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one
Property Insights of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one
The XLogP value of 4.1357 indicates that 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.34 Ų, 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-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-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one?
The CAS number of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one is 70546-18-8.
What is the molecular formula of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one?
The molecular formula of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one is C18H14N2O2S.
What is the molecular weight of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one?
The molecular weight of 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one is 322.08 g/mol.
Where can I buy 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one?
You can request a quote for 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-7-(dimethylamino)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.