CTK8D5016
TL;DR: CTK8D5016 (CAS 19003-87-3) is a chemical compound with molecular formula C23H29BrN2S2 and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methane;3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;bromide
Also Known As: 2-(2-Ethyl-3-(3-methyl-2-benzothiazolylidene)-1-propenyl)-3-methylbenzothiazolium bromide, Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, bromide, hydrate (1:1:2), Benzothiazolium, 3-methyl-2-(2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, bromide, dihydrate, 3-methyl-2-{2-[(3-methyl-1,3-benzothiazol-2(3h)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium bromide methane(1:1:2), Benzothiazolium, 3-methyl-2-[2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-, bromide, dihydrate
| Molecular Formula | C23H29BrN2S2 |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 3.88 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.09555 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 19003-87-3 |
|---|---|
| SMILES | C.C.CCC(=CC1=[N+](C2=CC=CC=C2S1)C)C=C3N(C4=CC=CC=C4S3)C.[Br-] |
| InChIKey | UBFAHTYVCDVHSS-UHFFFAOYSA-M |
Product Overview
CTK8D5016 (CAS 19003-87-3), with molecular formula C23H29BrN2S2 and molecular weight 476.10 g/mol. IUPAC: methane;3-methyl-2-[2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazole;bromide.
Chemical Property Profile of CTK8D5016
Property Insights of CTK8D5016
The XLogP value of 3.88 indicates that CTK8D5016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK8D5016. Following Lipinski's Rule of Five, CTK8D5016 has 0 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 CTK8D5016?
The CAS number of CTK8D5016 is 19003-87-3.
What is the molecular formula of CTK8D5016?
The molecular formula of CTK8D5016 is C23H29BrN2S2.
What is the molecular weight of CTK8D5016?
The molecular weight of CTK8D5016 is 476.10 g/mol.
Where can I buy CTK8D5016?
You can request a quote for CTK8D5016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK8D5016?
Yes, KEHONG BIO provides custom synthesis services for CTK8D5016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.