2R-0612
TL;DR: 2R-0612 (CAS 477889-56-8) is a chemical compound with molecular formula C25H23NO4 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 3-methoxybenzoate
Also Known As: 2R-0612, [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 3-methoxybenzoate, 2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropyl 3-methoxybenzenecarboxylate, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropyl 3-methoxybenzoate, 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropyl3-methoxybenzoate
| Molecular Formula | C25H23NO4 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 4.1193 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.16272 |
| Heavy Atoms | 30 |
| Complexity | 1047.7789 |
Chemical Identifiers
| CAS Number | 477889-56-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OCC(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O |
Product Overview
2R-0612 (CAS 477889-56-8), with molecular formula C25H23NO4 and molecular weight 401.16 g/mol. IUPAC: [2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl] 3-methoxybenzoate.
Chemical Property Profile of 2R-0612
Property Insights of 2R-0612
The XLogP value of 4.1193 indicates that 2R-0612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2R-0612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2R-0612 has 0 hydrogen bond donor(s) and 4 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 2R-0612?
The CAS number of 2R-0612 is 477889-56-8.
What is the molecular formula of 2R-0612?
The molecular formula of 2R-0612 is C25H23NO4.
What is the molecular weight of 2R-0612?
The molecular weight of 2R-0612 is 401.16 g/mol.
Where can I buy 2R-0612?
You can request a quote for 2R-0612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2R-0612?
Yes, KEHONG BIO provides custom synthesis services for 2R-0612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.