Elsholtzia-keton-semicarbazon
TL;DR: Elsholtzia-keton-semicarbazon (CAS 17701-26-7) is a chemical compound with molecular formula C24H26N2O6S4 and molecular weight 566.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Elsholtzia-keton-semicarbazon
3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: Elsholtzia-keton-semicarbazon, BAS 00170601, Benzothiazolium, 2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propenyl]-3-(3-sulfopropyl)-, inner salt, 3-[2-[2-Methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, Benzothiazolium, 2-(2-methyl-3-(3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)-1-propen-1-yl)-3-(3-sulfopropyl)-, inner salt
| Molecular Formula | C24H26N2O6S4 |
|---|---|
| Molecular Weight | 566.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.0674 |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 17701-26-7 |
|---|---|
| SMILES | CC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)O |
| InChIKey | UWKASGMADAVFBW-UHFFFAOYSA-N |
Product Overview
Elsholtzia-keton-semicarbazon (CAS 17701-26-7), with molecular formula C24H26N2O6S4 and molecular weight 566.07 g/mol. IUPAC: 3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of Elsholtzia-keton-semicarbazon
Property Insights of Elsholtzia-keton-semicarbazon
The XLogP value of 4.6 indicates that Elsholtzia-keton-semicarbazon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Elsholtzia-keton-semicarbazon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elsholtzia-keton-semicarbazon has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elsholtzia-keton-semicarbazon?
The CAS number of Elsholtzia-keton-semicarbazon is 17701-26-7.
What is the molecular formula of Elsholtzia-keton-semicarbazon?
The molecular formula of Elsholtzia-keton-semicarbazon is C24H26N2O6S4.
What is the molecular weight of Elsholtzia-keton-semicarbazon?
The molecular weight of Elsholtzia-keton-semicarbazon is 566.07 g/mol.
Where can I buy Elsholtzia-keton-semicarbazon?
You can request a quote for Elsholtzia-keton-semicarbazon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elsholtzia-keton-semicarbazon?
Yes, KEHONG BIO provides custom synthesis services for Elsholtzia-keton-semicarbazon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.