4-Morpholino-2-butynoic acid
TL;DR: 4-Morpholino-2-butynoic acid (CAS 38346-95-1) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylbut-2-ynoic acid
Also Known As: 4-morpholino-2-butynoic acid, 4-Morpholinobut-2-ynoic acid, 4-Morpholinetetrolic acid, 4-Morpholinotetrolic acid, 4-morpholin-4-ylbut-2-ynoic acid
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 38346-95-1 |
|---|---|
| SMILES | C1COCCN1CC#CC(=O)O |
| InChIKey | ZISHHSWJMOOXKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Morpholino-2-butynoic acid (CAS 38346-95-1), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 4-morpholin-4-ylbut-2-ynoic acid.
Chemical Property Profile of 4-Morpholino-2-butynoic acid
Property Insights of 4-Morpholino-2-butynoic acid
The XLogP value of -2.4 indicates that 4-Morpholino-2-butynoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Morpholino-2-butynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholino-2-butynoic acid has 1 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-Morpholino-2-butynoic acid?
The CAS number of 4-Morpholino-2-butynoic acid is 38346-95-1.
What is the molecular formula of 4-Morpholino-2-butynoic acid?
The molecular formula of 4-Morpholino-2-butynoic acid is C8H11NO3.
What is the molecular weight of 4-Morpholino-2-butynoic acid?
The molecular weight of 4-Morpholino-2-butynoic acid is 169.07 g/mol.
Where can I buy 4-Morpholino-2-butynoic acid?
You can request a quote for 4-Morpholino-2-butynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholino-2-butynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholino-2-butynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.