4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 1005117-37-2) is a chemical compound with molecular formula C24H19NO6 and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycarbonylphenyl) 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate, 4-(METHOXYCARBONYL)PHENYL 4-{3,5-DIOXO-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-EN-4-YL}BENZOATE
| Molecular Formula | C24H19NO6 |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.0039 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.12125 |
| Heavy Atoms | 31 |
| Complexity | 1087.7634 |
Chemical Identifiers
| CAS Number | 1005117-37-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 1005117-37-2), with molecular formula C24H19NO6 and molecular weight 417.12 g/mol. IUPAC: (4-methoxycarbonylphenyl) 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 3.0039 indicates that 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate 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-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 1005117-37-2.
What is the molecular formula of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C24H19NO6.
What is the molecular weight of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 417.12 g/mol.
Where can I buy 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(methoxycarbonyl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.