半胆碱-3
TL;DR: 半胆碱-3 (CAS 16478-59-4) is a chemical compound with molecular formula C24H34N2O4+2 and molecular weight 414.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
半胆碱-3
2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol
Also Known As: Hemicholinium, Hemicholine, HEMICHOLINIUM 3, HEMICHOLINIUM [MI], Lopac0_000578
| Molecular Formula | C24H34N2O4+2 |
|---|---|
| Molecular Weight | 414.25 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.25186 |
| Heavy Atoms | 30 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 16478-59-4 |
|---|---|
| SMILES | C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C |
| InChIKey | JIWUESGGKYLPPG-UHFFFAOYSA-N |
Product Overview
半胆碱-3 (CAS 16478-59-4), with molecular formula C24H34N2O4+2 and molecular weight 414.25 g/mol. IUPAC: 2-[4-[4-(2-hydroxy-4,4-dimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4-dimethylmorpholin-4-ium-2-ol.
Chemical Property Profile of 半胆碱-3
Property Insights of 半胆碱-3
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 半胆碱-3. With a topological polar surface area (TPSA) of 58.9 Ų, 半胆碱-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hemicholinium has 2 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 Hemicholinium?
The CAS number of Hemicholinium is 16478-59-4.
What is the molecular formula of Hemicholinium?
The molecular formula of Hemicholinium is C24H34N2O4+2.
What is the molecular weight of Hemicholinium?
The molecular weight of Hemicholinium is 414.25 g/mol.
Where can I buy Hemicholinium?
You can request a quote for Hemicholinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hemicholinium?
Yes, KEHONG BIO provides custom synthesis services for Hemicholinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.