4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-
TL;DR: 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- (CAS 64678-02-0) is a chemical compound with molecular formula C15H13NO5S and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(benzenesulfonyl)-4-oxa-9-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
Also Known As: 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-, 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(p, 9-(Benzenesulfonyl)hexahydro-5,6-epimino-4,7-methano-2-benzofuran-1,3-dione
| Molecular Formula | C15H13NO5S |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.05145 |
| Heavy Atoms | 22 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 64678-02-0 |
|---|---|
| SMILES | C1C2C3C(C1C4C2N4S(=O)(=O)C5=CC=CC=C5)C(=O)OC3=O |
| InChIKey | BCNVYFZUCFQHMB-UHFFFAOYSA-N |
Product Overview
4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- (CAS 64678-02-0), with molecular formula C15H13NO5S and molecular weight 319.05 g/mol. IUPAC: 9-(benzenesulfonyl)-4-oxa-9-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
Chemical Property Profile of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-
Property Insights of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-. Following Lipinski's Rule of Five, 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- 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 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-?
The CAS number of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- is 64678-02-0.
What is the molecular formula of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-?
The molecular formula of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- is C15H13NO5S.
What is the molecular weight of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-?
The molecular weight of 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- is 319.05 g/mol.
Where can I buy 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-?
You can request a quote for 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methanoisobenzofuran-5,6-imine-1,3-dione, hexahydro-9-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.