Einecs 255-415-1
TL;DR: Einecs 255-415-1 (CAS 41504-10-3) is a chemical compound with molecular formula C16H18N4O4S5 and molecular weight 489.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-ium-3-ylidene]propane-1-sulfonate;pyridine
Also Known As: EINECS 255-415-1, 3-(2-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-5-(methylthio)-1,3,4-thiadiazol-3(2H)-ylidene)propanesulphonic acid, compound with pyridine (1:1), (3Z)-3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-ium-3-ylidene]propane-1-sulfonate; pyridine, (3Z)-3-[(5Z)-5-(3-ethyl-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene)-2-methylsulfanyl-1-thia-3-aza-4-azoniacyclopent-2-en-4-ylidene]propane-1-sulfonate; pyridine, 3-[2-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-5-(methylthio)-1,3,4-thiadiazol-3(2H)-propanesulphonic acid, compound with pyridine (1:1)
| Molecular Formula | C16H18N4O4S5 |
|---|---|
| Molecular Weight | 489.99 g/mol |
| LogP | 1.16769 |
| Topological Polar Surface Area | 109.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.99316 |
| Heavy Atoms | 29 |
| Complexity | 1059.5503 |
Chemical Identifiers
| CAS Number | 41504-10-3 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/2\[N+](=C\CCS(=O)(=O)[O-])\N=C(S2)SC)/SC1=S.C1=CC=NC=C1 |
Product Overview
Einecs 255-415-1 (CAS 41504-10-3), with molecular formula C16H18N4O4S5 and molecular weight 489.99 g/mol. IUPAC: (3Z)-3-[(2Z)-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5-methylsulfanyl-1,3,4-thiadiazol-3-ium-3-ylidene]propane-1-sulfonate;pyridine.
Chemical Property Profile of Einecs 255-415-1
Property Insights of Einecs 255-415-1
The XLogP value of 1.16769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 255-415-1. The TPSA of 109.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 255-415-1. Following Lipinski's Rule of Five, Einecs 255-415-1 has 0 hydrogen bond donor(s) and 10 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 255-415-1?
The CAS number of Einecs 255-415-1 is 41504-10-3.
What is the molecular formula of Einecs 255-415-1?
The molecular formula of Einecs 255-415-1 is C16H18N4O4S5.
What is the molecular weight of Einecs 255-415-1?
The molecular weight of Einecs 255-415-1 is 489.99 g/mol.
Where can I buy Einecs 255-415-1?
You can request a quote for Einecs 255-415-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 255-415-1?
Yes, KEHONG BIO provides custom synthesis services for Einecs 255-415-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.