VU0494471-1
TL;DR: VU0494471-1 (CAS 708228-17-5) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: VU0494471-1, 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, AS-871/42698169, 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-4,7,3a,7a-tetrahydroisoindole-1, 3-dione
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 2.9777 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 705.21173 |
Chemical Identifiers
| CAS Number | 708228-17-5 |
|---|---|
| SMILES | CC1=C(CC2C(C1)C(=O)N(C2=O)CCC3=CC(=C(C=C3)OC)OC)C |
Product Overview
VU0494471-1 (CAS 708228-17-5), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of VU0494471-1
Property Insights of VU0494471-1
The XLogP value of 2.9777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0494471-1. With a topological polar surface area (TPSA) of 55.84 Ų, VU0494471-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0494471-1 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 VU0494471-1?
The CAS number of VU0494471-1 is 708228-17-5.
What is the molecular formula of VU0494471-1?
The molecular formula of VU0494471-1 is C20H25NO4.
What is the molecular weight of VU0494471-1?
The molecular weight of VU0494471-1 is 343.18 g/mol.
Where can I buy VU0494471-1?
You can request a quote for VU0494471-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494471-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494471-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.