![2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione structure](/static/products/3453/345320-89-0.webp)
2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione (CAS 345320-89-0) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Also Known As: 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione, 2-(4-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 3.9452 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 745.488 |
Chemical Identifiers
| CAS Number | 345320-89-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione (CAS 345320-89-0), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 2-(4-phenylmethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
Chemical Property Profile of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 3.9452 indicates that 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione is 345320-89-0.
What is the molecular formula of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione is C21H21NO3.
What is the molecular weight of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione is 335.15 g/mol.
Where can I buy 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(benzyloxy)phenyl]hexahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.