C21H20N2O3
TL;DR: C21H20N2O3 (CAS 775289-50-4) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylimino)-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Also Known As: (1Z)-1-(1,3-benzodioxol-5-ylimino)-4,4,6-trimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (E)-1-(benzo[d][1,3]dioxol-5-ylimino)-4,4,6-trimethyl-5,6-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-one
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 4.1685 |
| Topological Polar Surface Area | 51.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 977.2166 |
Chemical Identifiers
| CAS Number | 775289-50-4 |
|---|---|
| SMILES | CC1CC(N2C3=C1C=CC=C3C(=NC4=CC5=C(C=C4)OCO5)C2=O)(C)C |
Product Overview
C21H20N2O3 (CAS 775289-50-4), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylimino)-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
Chemical Property Profile of C21H20N2O3
Property Insights of C21H20N2O3
The XLogP value of 4.1685 indicates that C21H20N2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.13 Ų, C21H20N2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H20N2O3 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 C21H20N2O3?
The CAS number of C21H20N2O3 is 775289-50-4.
What is the molecular formula of C21H20N2O3?
The molecular formula of C21H20N2O3 is C21H20N2O3.
What is the molecular weight of C21H20N2O3?
The molecular weight of C21H20N2O3 is 348.15 g/mol.
Where can I buy C21H20N2O3?
You can request a quote for C21H20N2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20N2O3?
Yes, KEHONG BIO provides custom synthesis services for C21H20N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.