Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-
TL;DR: Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- (CAS 17037-50-2) is a chemical compound with molecular formula C17H21NO4S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-10-(4-methylphenyl)sulfonyl-4-oxa-10-azatricyclo[5.2.1.02,6]decan-3-one
Also Known As: Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-, 3a,4,5,6,7,7a-Hexahydro-4,7-epimino-3,3-dimethyl-8-[(4-methylphenyl)sulfonyl]isobenzofuran-1(3H)-one, 5,5-dimethyl-10-(4-methylphenyl)sulfonyl-4-oxa-10-azatricyclo[5.2.1.02,6]decan-3-one, 5,5-dimethyl-10-(4-methylbenzenesulfonyl)-4-oxa-10-azatricyclo[5.2.1.02,6]decan-3-one
| Molecular Formula | C17H21NO4S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.11914 |
| Heavy Atoms | 23 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 17037-50-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2C4C3C(=O)OC4(C)C |
| InChIKey | HCSALCWPROJGKN-UHFFFAOYSA-N |
Product Overview
Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- (CAS 17037-50-2), with molecular formula C17H21NO4S and molecular weight 335.12 g/mol. IUPAC: 5,5-dimethyl-10-(4-methylphenyl)sulfonyl-4-oxa-10-azatricyclo[5.2.1.02,6]decan-3-one.
Chemical Property Profile of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-
Property Insights of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-. Following Lipinski's Rule of Five, Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- 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 Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-?
The CAS number of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- is 17037-50-2.
What is the molecular formula of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-?
The molecular formula of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- is C17H21NO4S.
What is the molecular weight of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-?
The molecular weight of Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- is 335.12 g/mol.
Where can I buy Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-?
You can request a quote for Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Isobenzofuran-4,7-imin-1(3H)-one, hexahydro-3,3-dimethyl-8-(p-tolylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.