BAS 04916822
TL;DR: BAS 04916822 (CAS 445264-68-6) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)oxamide
Also Known As: BAS 04916822, AL-281/41114466, N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)oxamide, N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanediamide, N-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-N'-isochroman-1-ylmethyl-oxalamide
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 1.3728 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 869.3794 |
Chemical Identifiers
| CAS Number | 445264-68-6 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CNC(=O)C(=O)NCC3COC4=CC=CC=C4O3 |
Product Overview
BAS 04916822 (CAS 445264-68-6), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)oxamide.
Chemical Property Profile of BAS 04916822
Property Insights of BAS 04916822
The XLogP value of 1.3728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04916822. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04916822. Following Lipinski's Rule of Five, BAS 04916822 has 2 hydrogen bond donor(s) and 5 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 BAS 04916822?
The CAS number of BAS 04916822 is 445264-68-6.
What is the molecular formula of BAS 04916822?
The molecular formula of BAS 04916822 is C21H22N2O5.
What is the molecular weight of BAS 04916822?
The molecular weight of BAS 04916822 is 382.15 g/mol.
Where can I buy BAS 04916822?
You can request a quote for BAS 04916822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04916822?
Yes, KEHONG BIO provides custom synthesis services for BAS 04916822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.