![N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine structure](/static/products/332/332107-22-9.png)
N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine
TL;DR: N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine (CAS 332107-22-9) is a chemical compound with molecular formula C17H15BrN2O5 and molecular weight 406.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 01123412, N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine, (E)-3-(3-(4-bromophenyl)-2-(furan-2-carboxamido)acrylamido)propanoic acid, 3-[[(E)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid, N-{(2E)-3-(4-bromophenyl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl}-beta-alanine
| Molecular Formula | C17H15BrN2O5 |
|---|---|
| Molecular Weight | 406.02 g/mol |
| LogP | 2.4039 |
| Topological Polar Surface Area | 108.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.01642 |
| Heavy Atoms | 25 |
| Complexity | 781.87933 |
Chemical Identifiers
| CAS Number | 332107-22-9 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCCC(=O)O |
Product Overview
N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine (CAS 332107-22-9), with molecular formula C17H15BrN2O5 and molecular weight 406.02 g/mol. IUPAC: 3-[[(E)-3-(4-bromophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine
Property Insights of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine
The XLogP value of 2.4039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine. The TPSA of 108.64 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine. Following Lipinski's Rule of Five, N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine has 3 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 N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine?
The CAS number of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine is 332107-22-9.
What is the molecular formula of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine?
The molecular formula of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine is C17H15BrN2O5.
What is the molecular weight of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine?
The molecular weight of N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine is 406.02 g/mol.
Where can I buy N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine?
You can request a quote for N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(4-bromophenyl)-2-(2-furoylamino)acryloyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.