3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid
TL;DR: 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid (CAS 1024018-61-8) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid
Also Known As: 3-(furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid, 3-(2-furylmethylamino)-4-methoxy-4-oxo-butanoic Acid, 3-[(furan-2-ylmethyl)amino]-4-methoxy-4-oxobutanoic acid (non-preferred name), 3-((furan-2-ylmethyl)amino)-4-methoxy-4-oxobutanoic acid, 3-{[(furan-2-yl)methyl]amino}-4-methoxy-4-oxobutanoic acid
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 0.3855 |
| Topological Polar Surface Area | 88.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 346.10117 |
Chemical Identifiers
| CAS Number | 1024018-61-8 |
|---|---|
| SMILES | COC(=O)C(CC(=O)O)NCC1=CC=CO1 |
Product Overview
3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid (CAS 1024018-61-8), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: 3-(furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid
Property Insights of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid
The XLogP value of 0.3855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid. The TPSA of 88.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid has 2 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-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid?
The CAS number of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid is 1024018-61-8.
What is the molecular formula of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid?
The molecular formula of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid is C10H13NO5.
What is the molecular weight of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid?
The molecular weight of 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid is 227.08 g/mol.
Where can I buy 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid?
You can request a quote for 3-(Furan-2-ylmethylamino)-4-methoxy-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 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furan-2-ylmethylamino)-4-methoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.