3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
TL;DR: 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid (CAS 92858-72-5) is a chemical compound with molecular formula C16H11NO6 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
Also Known As: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid, (Z)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic ac
| Molecular Formula | C16H11NO6 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.05862 |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 92858-72-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C3=CC=CC=C3)C(=O)O)[N+](=O)[O-] |
| InChIKey | ZZFKPNPIOBGWHW-UHFFFAOYSA-N |
Product Overview
3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid (CAS 92858-72-5), with molecular formula C16H11NO6 and molecular weight 313.06 g/mol. IUPAC: 3-(6-nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid.
Chemical Property Profile of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
Property Insights of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
The XLogP value of 3.2 indicates that 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The CAS number of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is 92858-72-5.
What is the molecular formula of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The molecular formula of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is C16H11NO6.
What is the molecular weight of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The molecular weight of 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is 313.06 g/mol.
Where can I buy 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
You can request a quote for 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-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 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.