2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate
TL;DR: 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate (CAS 474377-37-2) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] 4-acetamidobenzenesulfonate
Also Known As: 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate, [2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] 4-acetamidobenzenesulfonate, 2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 4-acetamidobenzenesulfonate, 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl 4-(acetylamino)benzenesulfonate, 2-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DECAN-4-YL}PHENYL 4-ACETAMIDOBENZENESULFONATE
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 2.9482 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1195.3026 |
Chemical Identifiers
| CAS Number | 474377-37-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3C(=O)C4C5CCC(C5)C4C3=O |
Product Overview
2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate (CAS 474377-37-2), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: [2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] 4-acetamidobenzenesulfonate.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate
Property Insights of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate
The XLogP value of 2.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate has 1 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 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate?
The CAS number of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate is 474377-37-2.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate?
The molecular formula of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate is C23H22N2O6S.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate?
The molecular weight of 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate is 454.12 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate?
You can request a quote for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 4-(acetylamino)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.