Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate
TL;DR: Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate (CAS 879589-75-0) is a chemical compound with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate
Also Known As: methyl 3-butyramido-4-morpholinobenzoate, methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate, methyl 3-(butyrylamino)-4-(4-morpholinyl)benzoate, AP-970/43375161, methyl 3-(butanoylamino)-4-(morpholin-4-yl)benzoate
| Molecular Formula | C16H22N2O4 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 2.0484 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.15796 |
| Heavy Atoms | 22 |
| Complexity | 538.9474 |
Chemical Identifiers
| CAS Number | 879589-75-0 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCOCC2 |
Product Overview
Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate (CAS 879589-75-0), with molecular formula C16H22N2O4 and molecular weight 306.16 g/mol. IUPAC: methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate.
Chemical Property Profile of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate
Property Insights of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate
The XLogP value of 2.0484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate. Following Lipinski's Rule of Five, Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate has 1 hydrogen bond donor(s) and 5 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 3-(butanoylamino)-4-morpholin-4-ylbenzoate?
The CAS number of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate is 879589-75-0.
What is the molecular formula of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate?
The molecular formula of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate is C16H22N2O4.
What is the molecular weight of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate?
The molecular weight of Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate is 306.16 g/mol.
Where can I buy Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate?
You can request a quote for Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(butanoylamino)-4-morpholin-4-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.