4-(1,3-二氧代丁基)吗啉
TL;DR: 4-(1,3-二氧代丁基)吗啉 (CAS 16695-54-8) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-二氧代丁基)吗啉
1-morpholin-4-ylbutane-1,3-dione
Also Known As: N-Acetoacetylmorpholine, 1-(morpholin-4-yl)butane-1,3-dione, 1-Morpholinobutane-1,3-dione, 4-(1,3-Dioxobutyl)morpholine, Acetoacetomorpholide
| Molecular Formula | C8H13NO3 |
|---|---|
| Molecular Weight | 171.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.08954 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 16695-54-8 |
|---|---|
| SMILES | CC(=O)CC(=O)N1CCOCC1 |
| InChIKey | RKPILPRSNWEZJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,3-二氧代丁基)吗啉 (CAS 16695-54-8), with molecular formula C8H13NO3 and molecular weight 171.09 g/mol. IUPAC: 1-morpholin-4-ylbutane-1,3-dione.
Chemical Property Profile of 4-(1,3-二氧代丁基)吗啉
Property Insights of 4-(1,3-二氧代丁基)吗啉
The XLogP value of -0.8 indicates that 4-(1,3-二氧代丁基)吗啉 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.6 Ų, 4-(1,3-二氧代丁基)吗啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-二氧代丁基)吗啉 has 0 hydrogen bond donor(s) and 3 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-(1,3-二氧代丁基)吗啉?
The CAS number of 4-(1,3-二氧代丁基)吗啉 is 16695-54-8.
What is the molecular formula of 4-(1,3-二氧代丁基)吗啉?
The molecular formula of 4-(1,3-二氧代丁基)吗啉 is C8H13NO3.
What is the molecular weight of 4-(1,3-二氧代丁基)吗啉?
The molecular weight of 4-(1,3-二氧代丁基)吗啉 is 171.09 g/mol.
Where can I buy 4-(1,3-二氧代丁基)吗啉?
You can request a quote for 4-(1,3-二氧代丁基)吗啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-二氧代丁基)吗啉?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-二氧代丁基)吗啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.