Quettamine ion
TL;DR: Quettamine ion (CAS 77844-42-9) is a chemical compound with molecular formula C19H22NO3+ and molecular weight 312.16 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
Also Known As: Quettamine ion, Quettamine cation, Quettamine, (+/-)-, QUETTAMINE, (+-)-, NCI60_003232
| Molecular Formula | C19H22NO3+ |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 3.2081 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.15997 |
| Heavy Atoms | 23 |
| Complexity | 751.9552 |
Chemical Identifiers
| CAS Number | 77844-42-9 |
|---|---|
| SMILES | C[N+]1(CCC2=C3[C@H]1[C@H](OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C |
Product Overview
Quettamine ion (CAS 77844-42-9), with molecular formula C19H22NO3+ and molecular weight 312.16 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.
Chemical Property Profile of Quettamine ion
Property Insights of Quettamine ion
The XLogP value of 3.2081 indicates that Quettamine ion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.69 Ų, Quettamine ion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quettamine ion 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 ion?
The CAS number of Quettamine ion is 77844-42-9.
What is the molecular formula of Quettamine ion?
The molecular formula of Quettamine ion is C19H22NO3+.
What is the molecular weight of Quettamine ion?
The molecular weight of Quettamine ion is 312.16 g/mol.
Where can I buy Quettamine ion?
You can request a quote for Quettamine ion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quettamine ion?
Yes, KEHONG BIO provides custom synthesis services for Quettamine ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.