4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
TL;DR: 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1033592-86-7) is a chemical compound with molecular formula C15H15BrN2O4 and molecular weight 366.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: 4-(2-bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid, N-(2-bromophenyl)-N~2~-(furan-2-ylmethyl)-alpha-asparagine, 3-[(2-bromophenyl)carbamoyl]-3-(2-furylmethylamino)propanoic Acid, 4-((2-bromophenyl)amino)-3-((furan-2-ylmethyl)amino)-4-oxobutanoic acid
| Molecular Formula | C15H15BrN2O4 |
|---|---|
| Molecular Weight | 366.02 g/mol |
| LogP | 2.6137 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.0215 |
| Heavy Atoms | 22 |
| Complexity | 642.75183 |
Chemical Identifiers
| CAS Number | 1033592-86-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C(CC(=O)O)NCC2=CC=CO2)Br |
Product Overview
4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid (CAS 1033592-86-7), with molecular formula C15H15BrN2O4 and molecular weight 366.02 g/mol. IUPAC: 4-(2-bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
Property Insights of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
The XLogP value of 2.6137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid 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 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The CAS number of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid is 1033592-86-7.
What is the molecular formula of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular formula of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid is C15H15BrN2O4.
What is the molecular weight of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid?
The molecular weight of 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid is 366.02 g/mol.
Where can I buy 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid?
You can request a quote for 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Bromoanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.