Lycobetaine acetate
TL;DR: Lycobetaine acetate (CAS 61221-41-8) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol acetate
Also Known As: Lycobetaine acetate, Oxylycorine, Ungeremine acetate, Ungerimine acetate, Lycobetaine
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 1.0271 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 61221-41-8 |
|---|---|
| SMILES | CC(=O)[O-].C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4 |
| InChIKey | HKIJKEFVQKXWGW-UHFFFAOYSA-N |
Product Overview
Lycobetaine acetate (CAS 61221-41-8), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: 5,7-dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-ol acetate.
Chemical Property Profile of Lycobetaine acetate
Property Insights of Lycobetaine acetate
The XLogP value of 1.0271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lycobetaine acetate. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Lycobetaine acetate. Following Lipinski's Rule of Five, Lycobetaine acetate has 1 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 Lycobetaine acetate?
The CAS number of Lycobetaine acetate is 61221-41-8.
What is the molecular formula of Lycobetaine acetate?
The molecular formula of Lycobetaine acetate is C18H15NO5.
What is the molecular weight of Lycobetaine acetate?
The molecular weight of Lycobetaine acetate is 325.10 g/mol.
Where can I buy Lycobetaine acetate?
You can request a quote for Lycobetaine acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lycobetaine acetate?
Yes, KEHONG BIO provides custom synthesis services for Lycobetaine acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.