Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester
TL;DR: Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester (CAS 104788-62-7) is a chemical compound with molecular formula C16H31NO3 and molecular weight 285.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-(nonylamino)-6-oxohexanoate
Also Known As: methyl 6-(nonylamino)-6-oxohexanoate, Methyl 5-(nonylcarbamoyl)pentanoate, Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H31NO3 |
| Molecular Weight | 285.2304 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 285.2304 Da |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
| SMILES | CCCCCCCCCNC(=O)CCCCC(=O)OC |
| InChIKey | AIWGGGFJSPASTQ-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester
Property Insights of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester
The XLogP value of 4.0 indicates that Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester?
The CAS number of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester is 104788-62-7.
What is the molecular formula of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester?
The molecular formula of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester is C16H31NO3.
What is the molecular weight of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester?
The molecular weight of Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester is 285.2304 g/mol.
Where can I buy Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester?
You can request a quote for Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 6-(nonylamino)-6-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.