![3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone structure](/static/products/4947/494776-09-9.webp)
3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone
TL;DR: 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 494776-09-9) is a chemical compound with molecular formula C17H13FN2O4S and molecular weight 360.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
Also Known As: ASN 05514108, AJ-292/40647013, 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone, 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-6,7-dimethoxy-2-benzofuran-1(3H)-one, 3-(6-Fluoro-benzothiazol-2-ylamino)-6,7-dimethoxy-3H-isobenzofuran-1-one
| Molecular Formula | C17H13FN2O4S |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 3.7337 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.058 |
| Heavy Atoms | 25 |
| Complexity | 988.1835 |
Chemical Identifiers
| CAS Number | 494776-09-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=NC4=C(S3)C=C(C=C4)F)OC |
Product Overview
3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone (CAS 494776-09-9), with molecular formula C17H13FN2O4S and molecular weight 360.06 g/mol. IUPAC: 3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone
Property Insights of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone
The XLogP value of 3.7337 indicates that 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone 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-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone. Following Lipinski's Rule of Five, 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone 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-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The CAS number of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone is 494776-09-9.
What is the molecular formula of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular formula of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone is C17H13FN2O4S.
What is the molecular weight of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone?
The molecular weight of 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone is 360.06 g/mol.
Where can I buy 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone?
You can request a quote for 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Fluoro-2-benzothiazolyl)amino]-6,7-dimethoxy-1(3H)-isobenzofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.