EINECS 252-296-8
TL;DR: EINECS 252-296-8 (CAS 34935-38-1) is a chemical compound with molecular formula C24H26N2O3S3 and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate
Also Known As: Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-3-(3-sulfobutyl)-, inner salt, 2-[3-(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-2-METHYL-1-PROPENYL]-3-[3-(SULFOOXY)-BUTYL]BENZOTHIAZOLIUM HYDROXIDE,INNER SALT, 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate, Benzothiazolium, 2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-3-(3-sulfobutyl)-, inner salt
| Molecular Formula | C24H26N2O3S3 |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.11057 |
| Heavy Atoms | 32 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 34935-38-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCC(C)S(=O)(=O)[O-])C |
| InChIKey | HHGWLRNRKVHQRS-UHFFFAOYSA-N |
Product Overview
EINECS 252-296-8 (CAS 34935-38-1), with molecular formula C24H26N2O3S3 and molecular weight 486.11 g/mol. IUPAC: 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-2-sulfonate.
Chemical Property Profile of EINECS 252-296-8
Property Insights of EINECS 252-296-8
The XLogP value of 6.2 indicates that EINECS 252-296-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 252-296-8. Following Lipinski's Rule of Five, EINECS 252-296-8 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 252-296-8?
The CAS number of EINECS 252-296-8 is 34935-38-1.
What is the molecular formula of EINECS 252-296-8?
The molecular formula of EINECS 252-296-8 is C24H26N2O3S3.
What is the molecular weight of EINECS 252-296-8?
The molecular weight of EINECS 252-296-8 is 486.11 g/mol.
Where can I buy EINECS 252-296-8?
You can request a quote for EINECS 252-296-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 252-296-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 252-296-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.