![({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid structure](/static/products/445/445261-82-5.png)
({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid
TL;DR: ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid (CAS 445261-82-5) is a chemical compound with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid
Also Known As: AL-281/15329282, ({3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid, 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid, 2-[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)formamido]prop-2-enamido]acetic acid
| Molecular Formula | C19H15BrN2O6 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.1495 |
| Topological Polar Surface Area | 113.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.01135 |
| Heavy Atoms | 28 |
| Complexity | 972.64624 |
Chemical Identifiers
| CAS Number | 445261-82-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCC(=O)O)\NC(=O)C3=CC(=CC=C3)Br |
Product Overview
({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid (CAS 445261-82-5), with molecular formula C19H15BrN2O6 and molecular weight 446.01 g/mol. IUPAC: 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]prop-2-enoyl]amino]acetic acid.
Chemical Property Profile of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid
Property Insights of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid
The XLogP value of 2.1495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid. The TPSA of 113.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid. Following Lipinski's Rule of Five, ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid has 3 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-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid?
The CAS number of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid is 445261-82-5.
What is the molecular formula of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid?
The molecular formula of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid is C19H15BrN2O6.
What is the molecular weight of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid?
The molecular weight of ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid is 446.01 g/mol.
Where can I buy ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid?
You can request a quote for ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic 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-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ({3-(1,3-Benzodioxol-5-yl)-2-[(3-bromobenzoyl)amino]acryloyl}amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.