Butanoic acid, 4-(nonylamino)-4-oxo-
TL;DR: Butanoic acid, 4-(nonylamino)-4-oxo- (CAS 111875-81-1) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(nonylamino)-4-oxobutanoic acid
Also Known As: 3NonNHCO prop acid, 4-(nonylamino)-4-oxobutanoic acid, Butanoic acid, 4-(nonylamino)-4-oxo-, 4-nonylamino-4-oxobutyric acid, AMD4/5
| Molecular Formula | C13H25NO3 |
|---|---|
| Molecular Weight | 243.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 243.18344 |
| Heavy Atoms | 17 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 111875-81-1 |
|---|---|
| SMILES | CCCCCCCCCNC(=O)CCC(=O)O |
| InChIKey | TUEUEHBVNSTCIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-(nonylamino)-4-oxo- (CAS 111875-81-1), with molecular formula C13H25NO3 and molecular weight 243.18 g/mol. IUPAC: 4-(nonylamino)-4-oxobutanoic acid.
Chemical Property Profile of Butanoic acid, 4-(nonylamino)-4-oxo-
Property Insights of Butanoic acid, 4-(nonylamino)-4-oxo-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-(nonylamino)-4-oxo-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-(nonylamino)-4-oxo-. Following Lipinski's Rule of Five, Butanoic acid, 4-(nonylamino)-4-oxo- has 2 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 Butanoic acid, 4-(nonylamino)-4-oxo-?
The CAS number of Butanoic acid, 4-(nonylamino)-4-oxo- is 111875-81-1.
What is the molecular formula of Butanoic acid, 4-(nonylamino)-4-oxo-?
The molecular formula of Butanoic acid, 4-(nonylamino)-4-oxo- is C13H25NO3.
What is the molecular weight of Butanoic acid, 4-(nonylamino)-4-oxo-?
The molecular weight of Butanoic acid, 4-(nonylamino)-4-oxo- is 243.18 g/mol.
Where can I buy Butanoic acid, 4-(nonylamino)-4-oxo-?
You can request a quote for Butanoic acid, 4-(nonylamino)-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(nonylamino)-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(nonylamino)-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.