BAS 00399319
TL;DR: BAS 00399319 (CAS 282108-64-9) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
Also Known As: BAS 00399319, N-(2-Benzo[1,3]dioxol-5-yl-1-phenethylcarbamoyl-vinyl)-benzamide, (E)-N-(1-(benzo[d][1,3]dioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl)benzamide, N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzamide, N-{(1E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[(2-phenylethyl)amino]prop-1-en-2-yl}benzamide
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 3.5451 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1095.0195 |
Chemical Identifiers
| CAS Number | 282108-64-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCC3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 |
Product Overview
BAS 00399319 (CAS 282108-64-9), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: N-[(E)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide.
Chemical Property Profile of BAS 00399319
Property Insights of BAS 00399319
The XLogP value of 3.5451 indicates that BAS 00399319 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00399319. Following Lipinski's Rule of Five, BAS 00399319 has 2 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 BAS 00399319?
The CAS number of BAS 00399319 is 282108-64-9.
What is the molecular formula of BAS 00399319?
The molecular formula of BAS 00399319 is C25H22N2O4.
What is the molecular weight of BAS 00399319?
The molecular weight of BAS 00399319 is 414.16 g/mol.
Where can I buy BAS 00399319?
You can request a quote for BAS 00399319 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00399319?
Yes, KEHONG BIO provides custom synthesis services for BAS 00399319 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.