6-(壬氨基)-6-氧代己酸甲酯
TL;DR: 6-(壬氨基)-6-氧代己酸甲酯 (CAS 104788-62-7) is a chemical compound with molecular formula C16H31NO3 and molecular weight 285.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(壬氨基)-6-氧代己酸甲酯
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
| Molecular Formula | C16H31NO3 |
|---|---|
| Molecular Weight | 285.23 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 285.2304 |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 104788-62-7 |
|---|---|
| SMILES | CCCCCCCCCNC(=O)CCCCC(=O)OC |
| InChIKey | AIWGGGFJSPASTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(壬氨基)-6-氧代己酸甲酯 (CAS 104788-62-7), with molecular formula C16H31NO3 and molecular weight 285.23 g/mol. IUPAC: methyl 6-(nonylamino)-6-oxohexanoate.
Chemical Property Profile of 6-(壬氨基)-6-氧代己酸甲酯
Property Insights of 6-(壬氨基)-6-氧代己酸甲酯
The XLogP value of 4.0 indicates that 6-(壬氨基)-6-氧代己酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 6-(壬氨基)-6-氧代己酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(壬氨基)-6-氧代己酸甲酯 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
Frequently Asked Questions
What is the CAS number of 6-(壬氨基)-6-氧代己酸甲酯?
The CAS number of 6-(壬氨基)-6-氧代己酸甲酯 is 104788-62-7.
What is the molecular formula of 6-(壬氨基)-6-氧代己酸甲酯?
The molecular formula of 6-(壬氨基)-6-氧代己酸甲酯 is C16H31NO3.
What is the molecular weight of 6-(壬氨基)-6-氧代己酸甲酯?
The molecular weight of 6-(壬氨基)-6-氧代己酸甲酯 is 285.23 g/mol.
Where can I buy 6-(壬氨基)-6-氧代己酸甲酯?
You can request a quote for 6-(壬氨基)-6-氧代己酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(壬氨基)-6-氧代己酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 6-(壬氨基)-6-氧代己酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.