![N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine structure](/static/products/332/332107-16-1.png)
N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine
TL;DR: N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine (CAS 332107-16-1) is a chemical compound with molecular formula C17H15N3O7 and molecular weight 373.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
Also Known As: BAS 01123406, N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine, (E)-3-(2-(furan-2-carboxamido)-3-(4-nitrophenyl)acrylamido)propanoic acid, 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid, N-[(2E)-2-[(furan-2-ylcarbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]-beta-alanine
| Molecular Formula | C17H15N3O7 |
|---|---|
| Molecular Weight | 373.09 g/mol |
| LogP | 1.5496 |
| Topological Polar Surface Area | 151.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.091 |
| Heavy Atoms | 27 |
| Complexity | 870.44183 |
Chemical Identifiers
| CAS Number | 332107-16-1 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)NCCC(=O)O |
Product Overview
N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine (CAS 332107-16-1), with molecular formula C17H15N3O7 and molecular weight 373.09 g/mol. IUPAC: 3-[[(E)-2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid.
Chemical Property Profile of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine
Property Insights of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine
The XLogP value of 1.5496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine. The TPSA of 151.78 Ų indicates high polarity, suggesting N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine has 3 hydrogen bond donor(s) and 6 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-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine?
The CAS number of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine is 332107-16-1.
What is the molecular formula of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine?
The molecular formula of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine is C17H15N3O7.
What is the molecular weight of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine?
The molecular weight of N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine is 373.09 g/mol.
Where can I buy N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine?
You can request a quote for N-[2-(2-furoylamino)-3-(4-nitrophenyl)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-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-furoylamino)-3-(4-nitrophenyl)acryloyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.