CAS 852137-59-8 - C21H20N2O3
TL;DR: CAS 852137-59-8 - C21H20N2O3 (CAS 852137-59-8) 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.
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1,2-dimethylindol-5-yl)methyl]prop-2-enamide
Also Known As: (2Z)-3-(2H-1,3-benzodioxol-5-yl)-N-[(1,2-dimethyl-1H-indol-5-yl)methyl]prop-2-enamide
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 3.54502 |
| Topological Polar Surface Area | 52.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 1017.51324 |
Chemical Identifiers
| CAS Number | 852137-59-8 |
|---|---|
| SMILES | CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)/C=C/C3=CC4=C(C=C3)OCO4 |
Product Overview
CAS 852137-59-8 - C21H20N2O3 (CAS 852137-59-8), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-N-[(1,2-dimethylindol-5-yl)methyl]prop-2-enamide.
Chemical Property Profile of CAS 852137-59-8 - C21H20N2O3
Property Insights of CAS 852137-59-8 - C21H20N2O3
The XLogP value of 3.54502 indicates that CAS 852137-59-8 - C21H20N2O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.49 Ų, CAS 852137-59-8 - C21H20N2O3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CAS 852137-59-8 - C21H20N2O3 has 1 hydrogen bond donor(s) and 3 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 CAS 852137-59-8 - C21H20N2O3?
The CAS number of CAS 852137-59-8 - C21H20N2O3 is 852137-59-8.
What is the molecular formula of CAS 852137-59-8 - C21H20N2O3?
The molecular formula of CAS 852137-59-8 - C21H20N2O3 is C21H20N2O3.
What is the molecular weight of CAS 852137-59-8 - C21H20N2O3?
The molecular weight of CAS 852137-59-8 - C21H20N2O3 is 348.15 g/mol.
Where can I buy CAS 852137-59-8 - C21H20N2O3?
You can request a quote for CAS 852137-59-8 - C21H20N2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 852137-59-8 - C21H20N2O3?
Yes, KEHONG BIO provides custom synthesis services for CAS 852137-59-8 - C21H20N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.