Methyl 6-(diethylamino)-6-oxohexanoate
TL;DR: Methyl 6-(diethylamino)-6-oxohexanoate (CAS 827-99-6) is a chemical compound with molecular formula C11H21NO3 and molecular weight 215.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(diethylamino)-6-oxohexanoate
Also Known As: methyl 6-(diethylamino)-6-oxohexanoate, METHYL 5-(DIETHYLCARBAMOYL)PENTANOATE
| Molecular Formula | C11H21NO3 |
|---|---|
| Molecular Weight | 215.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 215.15215 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 827-99-6 |
|---|---|
| SMILES | CCN(CC)C(=O)CCCCC(=O)OC |
| InChIKey | AFYZDHZQDQAGMM-UHFFFAOYSA-N |
Product Overview
Methyl 6-(diethylamino)-6-oxohexanoate (CAS 827-99-6), with molecular formula C11H21NO3 and molecular weight 215.15 g/mol. IUPAC: methyl 6-(diethylamino)-6-oxohexanoate.
Chemical Property Profile of Methyl 6-(diethylamino)-6-oxohexanoate
Property Insights of Methyl 6-(diethylamino)-6-oxohexanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(diethylamino)-6-oxohexanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 6-(diethylamino)-6-oxohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-(diethylamino)-6-oxohexanoate has 0 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 Methyl 6-(diethylamino)-6-oxohexanoate?
The CAS number of Methyl 6-(diethylamino)-6-oxohexanoate is 827-99-6.
What is the molecular formula of Methyl 6-(diethylamino)-6-oxohexanoate?
The molecular formula of Methyl 6-(diethylamino)-6-oxohexanoate is C11H21NO3.
What is the molecular weight of Methyl 6-(diethylamino)-6-oxohexanoate?
The molecular weight of Methyl 6-(diethylamino)-6-oxohexanoate is 215.15 g/mol.
Where can I buy Methyl 6-(diethylamino)-6-oxohexanoate?
You can request a quote for Methyl 6-(diethylamino)-6-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-(diethylamino)-6-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-(diethylamino)-6-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.