(2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid
TL;DR: (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid (CAS 869472-63-9) is a chemical compound with molecular formula C11H9NO6 and molecular weight 251.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoic acid
Also Known As: (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid, (2E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylic acid, (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoic acid, 3-(6-Nitro-4H-1,3-benzodioxin-8-yl)-2-propenoic acid, (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoicacid
| Molecular Formula | C11H9NO6 |
|---|---|
| Molecular Weight | 251.04 g/mol |
| LogP | 1.5591 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.04298 |
| Heavy Atoms | 18 |
| Complexity | 536.58014 |
Chemical Identifiers
| CAS Number | 869472-63-9 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)O)OCO1 |
Product Overview
(2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid (CAS 869472-63-9), with molecular formula C11H9NO6 and molecular weight 251.04 g/mol. IUPAC: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid
Property Insights of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid
The XLogP value of 1.5591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid has 1 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 (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid is 869472-63-9.
What is the molecular formula of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid is C11H9NO6.
What is the molecular weight of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid is 251.04 g/mol.
Where can I buy (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(6-Nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.