3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
TL;DR: 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one (CAS 313240-03-8) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one, 3-(Benzothiazol-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one, 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-(benzo[d]thiazol-2-ylamino)-6,7-dimethoxyisobenzofuran-1(3H)-one, 3-[(1,3-Benzothiazol-2-yl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 3.5946 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 904.4853 |
Chemical Identifiers
| CAS Number | 313240-03-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC4=CC=CC=C4S3)OC |
Product Overview
3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one (CAS 313240-03-8), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
Property Insights of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
The XLogP value of 3.5946 indicates that 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one has 1 hydrogen bond donor(s) and 7 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-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The CAS number of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is 313240-03-8.
What is the molecular formula of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The molecular formula of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is C17H14N2O4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
The molecular weight of 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one is 342.07 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
You can request a quote for 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-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-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.