4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid
TL;DR: 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid (CAS 144397-99-9) is a chemical compound with molecular formula C15H17NO5 and molecular weight 291.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3-hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzoic acid
Also Known As: Obscurolide A1, 4-{[2-(3-hydroxybut-1-en-1-yl)-5-oxooxolan-3-yl]amino}benzoic acid, 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid, 4-({2-[(1E)-3-HYDROXYBUT-1-EN-1-YL]-5-OXOOXOLAN-3-YL}AMINO)BENZOIC ACID
| Molecular Formula | C15H17NO5 |
|---|---|
| Molecular Weight | 291.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1107 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 144397-99-9 |
|---|---|
| SMILES | CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C(=O)O)O |
| InChIKey | IZSWILLJDXDGDJ-UHFFFAOYSA-N |
Product Overview
4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid (CAS 144397-99-9), with molecular formula C15H17NO5 and molecular weight 291.11 g/mol. IUPAC: 4-[[2-(3-hydroxybut-1-enyl)-5-oxooxolan-3-yl]amino]benzoic acid.
Chemical Property Profile of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid
Property Insights of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid 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 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid?
The CAS number of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid is 144397-99-9.
What is the molecular formula of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid?
The molecular formula of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid is C15H17NO5.
What is the molecular weight of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid?
The molecular weight of 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid is 291.11 g/mol.
Where can I buy 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid?
You can request a quote for 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic 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-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-(3-Hydroxybut-1-en-1-yl)-5-oxotetrahydrofuran-3-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.