Criasbetaine
TL;DR: Criasbetaine (CAS 103246-12-4) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-14-olate
Also Known As: Criasbetaine, O10-Methylzefbetaine, J1.351.295G, 4,5-Dihydro-9,10-dimethoxypyrrolo[3,2,1-de]phenanthridinium-2-olate, 4,5-dimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-14-olate
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 103246-12-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=[N+]3CCC4=C3C2=CC(=C4)[O-])OC |
| InChIKey | IYGOTFHCAGRISA-UHFFFAOYSA-N |
Product Overview
Criasbetaine (CAS 103246-12-4), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 4,5-dimethoxy-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-14-olate.
Chemical Property Profile of Criasbetaine
Property Insights of Criasbetaine
The XLogP value of 3.8 indicates that Criasbetaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.4 Ų, Criasbetaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Criasbetaine 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 Criasbetaine?
The CAS number of Criasbetaine is 103246-12-4.
What is the molecular formula of Criasbetaine?
The molecular formula of Criasbetaine is C17H15NO3.
What is the molecular weight of Criasbetaine?
The molecular weight of Criasbetaine is 281.11 g/mol.
Where can I buy Criasbetaine?
You can request a quote for Criasbetaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Criasbetaine?
Yes, KEHONG BIO provides custom synthesis services for Criasbetaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.