RefChem:118615
TL;DR: RefChem:118615 (CAS 24402-80-0) is a chemical compound with molecular formula C24H22N2O4S2 and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-[3-(2-carboxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]propanoate
Also Known As: EINECS 246-228-6, Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, inner salt, Benzothiazolium, 3-(2-carboxyethyl)-2-[3-[3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]-2-methyl-1-propenyl]-, inner salt, 3-(2-Carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)benzothiazolium hydroxide, inner salt, Benzothiazolium, 3-(2-carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, inner salt
| Molecular Formula | C24H22N2O4S2 |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 3.6605 |
| Topological Polar Surface Area | 84.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.1021 |
| Heavy Atoms | 32 |
| Complexity | 1245.78 |
Chemical Identifiers
| CAS Number | 24402-80-0 |
|---|---|
| SMILES | CC(=CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O)C=C3N(C4=CC=CC=C4S3)CCC(=O)[O-] |
Product Overview
RefChem:118615 (CAS 24402-80-0), with molecular formula C24H22N2O4S2 and molecular weight 466.10 g/mol. IUPAC: 3-[2-[3-[3-(2-carboxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]propanoate.
Chemical Property Profile of RefChem:118615
Property Insights of RefChem:118615
The XLogP value of 3.6605 indicates that RefChem:118615 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118615. Following Lipinski's Rule of Five, RefChem:118615 has 1 hydrogen bond donor(s) and 6 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 RefChem:118615?
The CAS number of RefChem:118615 is 24402-80-0.
What is the molecular formula of RefChem:118615?
The molecular formula of RefChem:118615 is C24H22N2O4S2.
What is the molecular weight of RefChem:118615?
The molecular weight of RefChem:118615 is 466.10 g/mol.
Where can I buy RefChem:118615?
You can request a quote for RefChem:118615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118615?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.