Quettamine
TL;DR: Quettamine (CAS 82373-02-2) is a chemical compound with molecular formula C19H22INO3 and molecular weight 439.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3R,4S)-11-methoxy-5,5-dimethyl-2-oxa-5-azoniatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-yl]phenol iodide
Also Known As: (2R,2aS)-2-(4-Hydroxyphenyl)-8-methoxy-3,3-dimethyl-2a,3,4,5-tetrahydro-2H-furo[2,3,4-ij]isoquinolin-3-ium iodide, 4-[(3R,4S)-11-methoxy-5,5-dimethyl-2-oxa-5-azoniatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-yl]phenol;iodide, QUETTAMINE
| Molecular Formula | C19H22INO3 |
|---|---|
| Molecular Weight | 439.06 g/mol |
| LogP | 0.2121 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 439.06445 |
| Heavy Atoms | 24 |
| Complexity | 757.9524 |
Chemical Identifiers
| CAS Number | 82373-02-2 |
|---|---|
| SMILES | C[N+]1(CCC2=C3[C@H]1[C@H](OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C.[I-] |
Product Overview
Quettamine (CAS 82373-02-2), with molecular formula C19H22INO3 and molecular weight 439.06 g/mol. IUPAC: 4-[(3R,4S)-11-methoxy-5,5-dimethyl-2-oxa-5-azoniatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-yl]phenol iodide.
Chemical Property Profile of Quettamine
Property Insights of Quettamine
The XLogP value of 0.2121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quettamine. With a topological polar surface area (TPSA) of 38.69 Ų, Quettamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quettamine has 1 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 Quettamine?
The CAS number of Quettamine is 82373-02-2.
What is the molecular formula of Quettamine?
The molecular formula of Quettamine is C19H22INO3.
What is the molecular weight of Quettamine?
The molecular weight of Quettamine is 439.06 g/mol.
Where can I buy Quettamine?
You can request a quote for Quettamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quettamine?
Yes, KEHONG BIO provides custom synthesis services for Quettamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.