Decandisaeure-diisobutylester
TL;DR: Decandisaeure-diisobutylester (CAS 18420-49-0) is a chemical compound with molecular formula C23H23IN2S and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Decandisaeure-diisobutylester
3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide
Also Known As: Decandisaeure-diisobutylester, 1-Methyl-2-(2-((3-methyl-2-benzothiazolinylidene)methyl)-1-butenyl)quinolinium iodide, Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, iodide, Quinolinium, 1-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, iodide (1:1), 1-Methyl-2-[2-[(3-methyl-2-benzothiazolinylidene)methyl]-1-butenyl]quinolinium iodide
| Molecular Formula | C23H23IN2S |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 2.55 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.06268 |
| Heavy Atoms | 27 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 18420-49-0 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2C=C1)C)C=C3N(C4=CC=CC=C4S3)C.[I-] |
| InChIKey | CNNLZFMCEPOKCI-UHFFFAOYSA-M |
Product Overview
Decandisaeure-diisobutylester (CAS 18420-49-0), with molecular formula C23H23IN2S and molecular weight 486.06 g/mol. IUPAC: 3-methyl-2-[2-[(1-methylquinolin-1-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole iodide.
Chemical Property Profile of Decandisaeure-diisobutylester
Property Insights of Decandisaeure-diisobutylester
The XLogP value of 2.55 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decandisaeure-diisobutylester. With a topological polar surface area (TPSA) of 32.4 Ų, Decandisaeure-diisobutylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decandisaeure-diisobutylester 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 Decandisaeure-diisobutylester?
The CAS number of Decandisaeure-diisobutylester is 18420-49-0.
What is the molecular formula of Decandisaeure-diisobutylester?
The molecular formula of Decandisaeure-diisobutylester is C23H23IN2S.
What is the molecular weight of Decandisaeure-diisobutylester?
The molecular weight of Decandisaeure-diisobutylester is 486.06 g/mol.
Where can I buy Decandisaeure-diisobutylester?
You can request a quote for Decandisaeure-diisobutylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decandisaeure-diisobutylester?
Yes, KEHONG BIO provides custom synthesis services for Decandisaeure-diisobutylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.