(S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid
TL;DR: (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid (CAS 1026780-07-3) is a chemical compound with molecular formula C12H17NO5 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(furan-2-ylmethylamino)-4-oxo-4-propan-2-yloxybutanoic acid
Also Known As: (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid, 3-(2-furylmethylamino)-4-oxo-4-propan-2-yloxy-butanoic Acid, (3S)-3-(furan-2-ylmethylamino)-4-oxo-4-propan-2-yloxybutanoic acid
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.1641 |
| Topological Polar Surface Area | 88.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 385.18185 |
Chemical Identifiers
| CAS Number | 1026780-07-3 |
|---|---|
| SMILES | CC(C)OC(=O)[C@H](CC(=O)O)NCC1=CC=CO1 |
Product Overview
(S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid (CAS 1026780-07-3), with molecular formula C12H17NO5 and molecular weight 255.11 g/mol. IUPAC: (3S)-3-(furan-2-ylmethylamino)-4-oxo-4-propan-2-yloxybutanoic acid.
Chemical Property Profile of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid
Property Insights of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid
The XLogP value of 1.1641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid. The TPSA of 88.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-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 (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid?
The CAS number of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid is 1026780-07-3.
What is the molecular formula of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid?
The molecular formula of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid is C12H17NO5.
What is the molecular weight of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid?
The molecular weight of (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid is 255.11 g/mol.
Where can I buy (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid?
You can request a quote for (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-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 (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-((furan-2-ylmethyl)amino)-4-isopropoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.