Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
TL;DR: Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester (CAS 57438-52-5) is a chemical compound with molecular formula C12H19NO3 and molecular weight 225.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-morpholin-4-ylcyclohex-3-en-1-yl) acetate
Also Known As: 4-acetoxy-1-morpholin-4-yl-cyclohexene, (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate, 4-(4-Morpholinyl)-3-cyclohexen-1-yl acetate, 4-(4-Morpholinyl)-3-cyclohexen-1-yl acetate #, Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
| Molecular Formula | C12H19NO3 |
|---|---|
| Molecular Weight | 225.14 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.13649 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 57438-52-5 |
|---|---|
| SMILES | CC(=O)OC1CCC(=CC1)N2CCOCC2 |
| InChIKey | IOJWFAJQUHDASQ-UHFFFAOYSA-N |
Product Overview
Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester (CAS 57438-52-5), with molecular formula C12H19NO3 and molecular weight 225.14 g/mol. IUPAC: (4-morpholin-4-ylcyclohex-3-en-1-yl) acetate.
Chemical Property Profile of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
Property Insights of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester has 0 hydrogen bond donor(s) and 4 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 Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester?
The CAS number of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester is 57438-52-5.
What is the molecular formula of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester?
The molecular formula of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester is C12H19NO3.
What is the molecular weight of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester?
The molecular weight of Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester is 225.14 g/mol.
Where can I buy Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester?
You can request a quote for Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 4-morpholin-4-yl-cyclohex-3-enyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.