Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate
TL;DR: Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate (CAS 6814-72-8) is a chemical compound with molecular formula C10H20NO3+ and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate
Also Known As: 8-Aethyl-3exo-benzoyloxy-nortropan, Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate, ethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate, 4-(3-ETHOXY-2-METHYL-3-OXOPROPYL)MORPHOLIN-4-IUM
| Molecular Formula | C10H20NO3+ |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | -0.8993 |
| Topological Polar Surface Area | 39.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.14432 |
| Heavy Atoms | 14 |
| Complexity | 178.20592 |
Chemical Identifiers
| CAS Number | 6814-72-8 |
|---|---|
| SMILES | CCOC(=O)C(C)C[NH+]1CCOCC1 |
Product Overview
Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate (CAS 6814-72-8), with molecular formula C10H20NO3+ and molecular weight 202.14 g/mol. IUPAC: ethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate.
Chemical Property Profile of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate
Property Insights of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate
The XLogP value of -0.8993 indicates that Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.97 Ų, Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate 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 Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate?
The CAS number of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate is 6814-72-8.
What is the molecular formula of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate?
The molecular formula of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate is C10H20NO3+.
What is the molecular weight of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate?
The molecular weight of Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate is 202.14 g/mol.
Where can I buy Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate?
You can request a quote for Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-(1-oxa-4-azoniacyclohex-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.