3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid
TL;DR: 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid (CAS 70984-52-0) is a chemical compound with molecular formula C17H13NO5 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: Maybridge3_004680, 2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid, 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 70984-52-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3 |
| InChIKey | XXTGKIRVFYJOKQ-UHFFFAOYSA-N |
Product Overview
3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid (CAS 70984-52-0), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid
Property Insights of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic 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-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid is 70984-52-0.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid is C17H13NO5.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid is 311.08 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.