ChemDiv1_026888
TL;DR: ChemDiv1_026888 (CAS 6998-64-7) is a chemical compound with molecular formula C22H27N2O2S+ and molecular weight 383.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
Also Known As: ChemDiv1_026888, 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium, 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol, 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-1,2,3,5,6,7-hexahydroimidazo[2,1-b][1,3]thiazin-4-ium, 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-5H,6H,7H-2-imidazolino[2,1-b]1,3-thi azaperhydroin-3-ol
| Molecular Formula | C22H27N2O2S+ |
|---|---|
| Molecular Weight | 383.18 g/mol |
| LogP | 3.87284 |
| Topological Polar Surface Area | 35.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.17932 |
| Heavy Atoms | 27 |
| Complexity | 878.38153 |
Chemical Identifiers
| CAS Number | 6998-64-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCS3)C4=CC=CC(=C4C)C)O |
Product Overview
ChemDiv1_026888 (CAS 6998-64-7), with molecular formula C22H27N2O2S+ and molecular weight 383.18 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol.
Chemical Property Profile of ChemDiv1_026888
Property Insights of ChemDiv1_026888
The XLogP value of 3.87284 indicates that ChemDiv1_026888 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.71 Ų, ChemDiv1_026888 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026888 has 1 hydrogen bond donor(s) and 4 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 ChemDiv1_026888?
The CAS number of ChemDiv1_026888 is 6998-64-7.
What is the molecular formula of ChemDiv1_026888?
The molecular formula of ChemDiv1_026888 is C22H27N2O2S+.
What is the molecular weight of ChemDiv1_026888?
The molecular weight of ChemDiv1_026888 is 383.18 g/mol.
Where can I buy ChemDiv1_026888?
You can request a quote for ChemDiv1_026888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026888?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.