EINECS 279-528-0
TL;DR: EINECS 279-528-0 (CAS 80666-03-1) is a chemical compound with molecular formula C22H25NO7 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol
Also Known As: EINECS 279-528-0, AE-562/12222315, 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol, 1,3-Dihydro-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)isobenzofuran-1-ol, (1R,3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol
| Molecular Formula | C22H25NO7 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.7325 |
| Topological Polar Surface Area | 78.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16312 |
| Heavy Atoms | 30 |
| Complexity | 992.1818 |
Chemical Identifiers
| CAS Number | 80666-03-1 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(O4)O)C(=C(C=C5)OC)OC)OC)OCO3 |
Product Overview
EINECS 279-528-0 (CAS 80666-03-1), with molecular formula C22H25NO7 and molecular weight 415.16 g/mol. IUPAC: 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1,3-dihydro-2-benzofuran-1-ol.
Chemical Property Profile of EINECS 279-528-0
Property Insights of EINECS 279-528-0
The XLogP value of 2.7325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 279-528-0. The TPSA of 78.85 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 279-528-0. Following Lipinski's Rule of Five, EINECS 279-528-0 has 1 hydrogen bond donor(s) and 8 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 EINECS 279-528-0?
The CAS number of EINECS 279-528-0 is 80666-03-1.
What is the molecular formula of EINECS 279-528-0?
The molecular formula of EINECS 279-528-0 is C22H25NO7.
What is the molecular weight of EINECS 279-528-0?
The molecular weight of EINECS 279-528-0 is 415.16 g/mol.
Where can I buy EINECS 279-528-0?
You can request a quote for EINECS 279-528-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-528-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-528-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.