4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物
TL;DR: 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 (CAS 3042-78-2) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物
4,4-diethyl-3-phenylmorpholin-4-ium-2-one bromide
Also Known As: 4,4-Diethyl-2-oxo-3-phenylmorpholinium bromide, Morpholinium, 4,4-diethyl-2-oxo-3-phenyl-, bromide, 2-Keto-3-phenyl-4,4-diaethylmorholinium-bromid, 2-Keto-3-phenyl-4,4-diaethylmorholinium-bromid [German], 4,4-diethyl-2-oxo-3-phenylmorpholin-4-ium bromide
| Molecular Formula | C14H20BrNO2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | -0.8549 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.06775 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 3042-78-2 |
|---|---|
| SMILES | CC[N+]1(CCOC(=O)C1C2=CC=CC=C2)CC.[Br-] |
| InChIKey | LSDSEVOKBPLVGC-UHFFFAOYSA-M |
Product Overview
4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 (CAS 3042-78-2), with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol. IUPAC: 4,4-diethyl-3-phenylmorpholin-4-ium-2-one bromide.
Chemical Property Profile of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物
Property Insights of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物
The XLogP value of -0.8549 indicates that 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 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 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物?
The CAS number of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 is 3042-78-2.
What is the molecular formula of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物?
The molecular formula of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 is C14H20BrNO2.
What is the molecular weight of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物?
The molecular weight of 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 is 313.07 g/mol.
Where can I buy 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物?
You can request a quote for 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物?
Yes, KEHONG BIO provides custom synthesis services for 4,4-二乙基-2-氧代-3-苯基吗啉鎓溴化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.