C20H22Inos
TL;DR: C20H22Inos (CAS 1035495-77-2) is a chemical compound with molecular formula C20H22INOS and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1-dimethylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one iodide
Also Known As: 1,1-Dimethyl-4-(10-oxo-9,10-dihydro-1-thia-benzo[f]azulen-4-ylidene)-piperidinium, 1,1-dimethyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidin-1-ium iodide
| Molecular Formula | C20H22INOS |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 1.163 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 451.0467 |
| Heavy Atoms | 24 |
| Complexity | 806.5513 |
Chemical Identifiers
| CAS Number | 1035495-77-2 |
|---|---|
| SMILES | C[N+]1(CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1)C.[I-] |
Product Overview
C20H22Inos (CAS 1035495-77-2), with molecular formula C20H22INOS and molecular weight 451.05 g/mol. IUPAC: 2-(1,1-dimethylpiperidin-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one iodide.
Chemical Property Profile of C20H22Inos
Property Insights of C20H22Inos
The XLogP value of 1.163 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22Inos. With a topological polar surface area (TPSA) of 17.07 Ų, C20H22Inos exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H22Inos has 0 hydrogen bond donor(s) and 2 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 C20H22Inos?
The CAS number of C20H22Inos is 1035495-77-2.
What is the molecular formula of C20H22Inos?
The molecular formula of C20H22Inos is C20H22INOS.
What is the molecular weight of C20H22Inos?
The molecular weight of C20H22Inos is 451.05 g/mol.
Where can I buy C20H22Inos?
You can request a quote for C20H22Inos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22Inos?
Yes, KEHONG BIO provides custom synthesis services for C20H22Inos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.