1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
TL;DR: 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one (CAS 5429-94-7) is a chemical compound with molecular formula C27H36N2O3 and molecular weight 436.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
Also Known As: KST-1B6464, 1-(4-tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one, 1-(4-tert-butylphenyl)-2,3-di(morpholin-4-yl)-3-phenylpropan-1-one, 1-(4-tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1, 1-(4-tert-butyl-phenyl)-2,3-dimorpholino-3-phenyl-propan-1-one
| Molecular Formula | C27H36N2O3 |
|---|---|
| Molecular Weight | 436.27 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.27258 |
| Heavy Atoms | 32 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 5429-94-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C(C(C2=CC=CC=C2)N3CCOCC3)N4CCOCC4 |
| InChIKey | LLWAEHIULOYSDC-UHFFFAOYSA-N |
Product Overview
1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one (CAS 5429-94-7), with molecular formula C27H36N2O3 and molecular weight 436.27 g/mol. IUPAC: 1-(4-tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one.
Chemical Property Profile of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
Property Insights of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
The XLogP value of 4.2 indicates that 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one 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 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The CAS number of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is 5429-94-7.
What is the molecular formula of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The molecular formula of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is C27H36N2O3.
What is the molecular weight of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
The molecular weight of 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one is 436.27 g/mol.
Where can I buy 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
You can request a quote for 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.