EINECS 264-535-3
TL;DR: EINECS 264-535-3 (CAS 63870-47-3) is a chemical compound with molecular formula C17H23N2O4S4+ and molecular weight 447.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazol-3-ium-4-one;4-methylbenzenesulfonic acid
Also Known As: EINECS 264-535-3, Thiazolium, 3-ethyl-4,5-dihydro-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-oxo-, 4-methylbenzenesulfonate (1:1), Thiazolium, 3-ethyl-4,5-dihydro-5-(3-methyl-2-thiazolidinylidene)-2-(methylthio)-4-oxo-, salt with 4-methylbenzenesulfonic acid (1:1), 3-Ethyl-4,5-dihydro-5-(3-methylthiazolidin-2-ylidene)-2-(methylthio)-4-oxothiazolium toluene-p-sulphonate, (2Z)-3-ethyl-2-[(2E)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
| Molecular Formula | C17H23N2O4S4+ |
|---|---|
| Molecular Weight | 447.05 g/mol |
| LogP | 3.10062 |
| Topological Polar Surface Area | 77.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.05408 |
| Heavy Atoms | 27 |
| Complexity | 876.6994 |
Chemical Identifiers
| CAS Number | 63870-47-3 |
|---|---|
| SMILES | CC[N+]1=C(S/C(=C\2/N(CCS2)C)/C1=O)SC.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
EINECS 264-535-3 (CAS 63870-47-3), with molecular formula C17H23N2O4S4+ and molecular weight 447.05 g/mol. IUPAC: (5Z)-3-ethyl-2-methylsulfanyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-1,3-thiazol-3-ium-4-one;4-methylbenzenesulfonic acid.
Chemical Property Profile of EINECS 264-535-3
Property Insights of EINECS 264-535-3
The XLogP value of 3.10062 indicates that EINECS 264-535-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.69 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 264-535-3. Following Lipinski's Rule of Five, EINECS 264-535-3 has 1 hydrogen bond donor(s) and 7 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 EINECS 264-535-3?
The CAS number of EINECS 264-535-3 is 63870-47-3.
What is the molecular formula of EINECS 264-535-3?
The molecular formula of EINECS 264-535-3 is C17H23N2O4S4+.
What is the molecular weight of EINECS 264-535-3?
The molecular weight of EINECS 264-535-3 is 447.05 g/mol.
Where can I buy EINECS 264-535-3?
You can request a quote for EINECS 264-535-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 264-535-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 264-535-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.