Methyl 4-morpholinobutanoate
TL;DR: Methyl 4-morpholinobutanoate (CAS 5471-53-4) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-morpholin-4-ylbutanoate
Also Known As: methyl 4-morpholinobutanoate, starbld0044314, methyl 4-(morpholin-4-yl)butanoate, methyl 4-morpholin-4-ylbutanoate, Methyl gamma-morpholinobutyrate
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 5471-53-4 |
|---|---|
| SMILES | COC(=O)CCCN1CCOCC1 |
| InChIKey | QZYHXBPEHSABEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-morpholinobutanoate (CAS 5471-53-4), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: methyl 4-morpholin-4-ylbutanoate.
Chemical Property Profile of Methyl 4-morpholinobutanoate
Property Insights of Methyl 4-morpholinobutanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-morpholinobutanoate. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 4-morpholinobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-morpholinobutanoate has 0 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 Methyl 4-morpholinobutanoate?
The CAS number of Methyl 4-morpholinobutanoate is 5471-53-4.
What is the molecular formula of Methyl 4-morpholinobutanoate?
The molecular formula of Methyl 4-morpholinobutanoate is C9H17NO3.
What is the molecular weight of Methyl 4-morpholinobutanoate?
The molecular weight of Methyl 4-morpholinobutanoate is 187.12 g/mol.
Where can I buy Methyl 4-morpholinobutanoate?
You can request a quote for Methyl 4-morpholinobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-morpholinobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-morpholinobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.