3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
TL;DR: 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid (CAS 92856-23-0) is a chemical compound with molecular formula C16H13NO4 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
Also Known As: 3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
| Molecular Formula | C16H13NO4 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.08447 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 92856-23-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C3=CC=CC=C3)C(=O)O)N |
| InChIKey | AVSNCWYLRDGFOY-UHFFFAOYSA-N |
Product Overview
3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid (CAS 92856-23-0), with molecular formula C16H13NO4 and molecular weight 283.08 g/mol. IUPAC: 3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid.
Chemical Property Profile of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
Property Insights of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid 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 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The CAS number of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is 92856-23-0.
What is the molecular formula of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The molecular formula of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is C16H13NO4.
What is the molecular weight of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
The molecular weight of 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is 283.08 g/mol.
Where can I buy 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
You can request a quote for 3-(6-Amino-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-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.