![2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid structure](/static/products/1010/1010115-96-4.webp)
2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid
TL;DR: 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid (CAS 1010115-96-4) 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-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid
Also Known As: AH-487/15582225, 2-(3-benzo[1,3]dioxol-5-ylprop-2-enoylamino)benzoic Acid, 2-{[3-(1,3-benzodioxol-5-yl)acryloyl]amino}benzoic acid, (E)-2-(3-(benzo[d][1,3]dioxol-5-yl)acrylamido)benzoic acid, 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid
| Molecular Formula | C17H13NO5 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.7654 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07938 |
| Heavy Atoms | 23 |
| Complexity | 797.3208 |
Chemical Identifiers
| CAS Number | 1010115-96-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid (CAS 1010115-96-4), with molecular formula C17H13NO5 and molecular weight 311.08 g/mol. IUPAC: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid
Property Insights of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid
The XLogP value of 2.7654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid 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 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid?
The CAS number of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid is 1010115-96-4.
What is the molecular formula of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid?
The molecular formula of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid is C17H13NO5.
What is the molecular weight of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid?
The molecular weight of 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid is 311.08 g/mol.
Where can I buy 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid?
You can request a quote for 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.