2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 522593-40-4) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, 2-methoxyphenyl 3-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoate, (2-methoxyphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.594 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 914.0293 |
Chemical Identifiers
| CAS Number | 522593-40-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O |
Product Overview
2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 522593-40-4), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: (2-methoxyphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.594 indicates that 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 522593-40-4.
What is the molecular formula of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C22H21NO5.
What is the molecular weight of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 379.14 g/mol.
Where can I buy 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-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 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyphenyl 3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.