Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-
TL;DR: Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- (CAS 90778-77-1) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid
Also Known As: 2-((5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)butanoic acid, Butyric acid, 2-(5-(3,4-(methylenedioxy)phenyl)-2,4-pentadienamido)-, Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-, 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid, RefChem:1080313
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 1.9641 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 620.9622 |
Chemical Identifiers
| CAS Number | 90778-77-1 |
|---|---|
| SMILES | CCC(C(=O)O)NC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2 |
Product Overview
Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- (CAS 90778-77-1), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: 2-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]butanoic acid.
Chemical Property Profile of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-
Property Insights of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-
The XLogP value of 1.9641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-. Following Lipinski's Rule of Five, Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- has 2 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 Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-?
The CAS number of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- is 90778-77-1.
What is the molecular formula of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-?
The molecular formula of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- is C16H17NO5.
What is the molecular weight of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-?
The molecular weight of Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- is 303.11 g/mol.
Where can I buy Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-?
You can request a quote for Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.