C21H22N2O6
TL;DR: C21H22N2O6 (CAS 376381-38-3) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-[1-(1,3-benzodioxol-5-yl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethylidene]hydroxylamine
Also Known As: (Z)-1-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone oxime
| Molecular Formula | C21H22N2O6 |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 2.9502 |
| Topological Polar Surface Area | 81.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.1478 |
| Heavy Atoms | 29 |
| Complexity | 989.622 |
Chemical Identifiers
| CAS Number | 376381-38-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1C/C(=N/O)/C4=CC5=C(C=C4)OCO5)OC)OCO3 |
Product Overview
C21H22N2O6 (CAS 376381-38-3), with molecular formula C21H22N2O6 and molecular weight 398.15 g/mol. IUPAC: (NZ)-N-[1-(1,3-benzodioxol-5-yl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethylidene]hydroxylamine.
Chemical Property Profile of C21H22N2O6
Property Insights of C21H22N2O6
The XLogP value of 2.9502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H22N2O6. The TPSA of 81.98 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H22N2O6. Following Lipinski's Rule of Five, C21H22N2O6 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 C21H22N2O6?
The CAS number of C21H22N2O6 is 376381-38-3.
What is the molecular formula of C21H22N2O6?
The molecular formula of C21H22N2O6 is C21H22N2O6.
What is the molecular weight of C21H22N2O6?
The molecular weight of C21H22N2O6 is 398.15 g/mol.
Where can I buy C21H22N2O6?
You can request a quote for C21H22N2O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H22N2O6?
Yes, KEHONG BIO provides custom synthesis services for C21H22N2O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.