Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate
TL;DR: Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate (CAS 4006-72-8) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methylbenzoyl)-3-propan-2-ylmorpholin-4-yl] acetate
Also Known As: 4-(3-Isopropyl-2,6-cresotoyl)morpholine acetate, Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate, [2-(2-methylbenzoyl)-3-propan-2-ylmorpholin-4-yl] acetate, 2-(2-Methylbenzoyl)-3-(propan-2-yl)morpholin-4-yl acetate, [4-(Acetyloxy)-3-(propan-2-yl)morpholin-2-yl](2-methylphenyl)methanone
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 4006-72-8 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)C2C(N(CCO2)OC(=O)C)C(C)C |
| InChIKey | OCQAUDURBBGOQV-UHFFFAOYSA-N |
Product Overview
Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate (CAS 4006-72-8), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: [2-(2-methylbenzoyl)-3-propan-2-ylmorpholin-4-yl] acetate.
Chemical Property Profile of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate
Property Insights of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate
The XLogP value of 3.2 indicates that Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate has 0 hydrogen bond donor(s) and 5 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 Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate?
The CAS number of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate is 4006-72-8.
What is the molecular formula of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate?
The molecular formula of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate is C17H23NO4.
What is the molecular weight of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate?
The molecular weight of Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate is 305.16 g/mol.
Where can I buy Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate?
You can request a quote for Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Morpholine, 4-(3-isopropyl-2,6-cresotoyl)-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.