Einecs 258-101-2
TL;DR: Einecs 258-101-2 (CAS 52685-95-7) is a chemical compound with molecular formula C24H26N2O6S2Se2 and molecular weight 661.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzoselenazol-2-ylidene]prop-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: Silane,(3-iodo-1-methyl-1-propenyl)trimethyl-,(E), 3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzoselenazol-3-yl]propane-1-sulfonate, Hydrogen 2-(2-methyl-3-(3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)prop-1-enyl)-3-(3-sulphonatopropyl)benzoselenazolium, hydrogen 3-[2-{2-methyl-3-[3-(3-sulfonatopropyl)-1,3-benzoselenazol-3-ium-2-yl]prop-2-en-1-ylidene}-1,3-benzoselenazol-3(2h)-yl]propane-1-sulfonate, EINECS 258-101-2
| Molecular Formula | C24H26N2O6S2Se2 |
|---|---|
| Molecular Weight | 661.96 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 661.9563 |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 52685-95-7 |
|---|---|
| SMILES | CC(=CC1=[N+](C2=CC=CC=C2[Se]1)CCCS(=O)(=O)[O-])C=C3N(C4=CC=CC=C4[Se]3)CCCS(=O)(=O)O |
| InChIKey | KRRAXFDCPBHIDG-UHFFFAOYSA-N |
Product Overview
Einecs 258-101-2 (CAS 52685-95-7), with molecular formula C24H26N2O6S2Se2 and molecular weight 661.96 g/mol. IUPAC: 3-[2-[2-methyl-3-[3-(3-sulfopropyl)-1,3-benzoselenazol-2-ylidene]prop-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of Einecs 258-101-2
Property Insights of Einecs 258-101-2
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 258-101-2. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 258-101-2. Following Lipinski's Rule of Five, Einecs 258-101-2 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 258-101-2?
The CAS number of Einecs 258-101-2 is 52685-95-7.
What is the molecular formula of Einecs 258-101-2?
The molecular formula of Einecs 258-101-2 is C24H26N2O6S2Se2.
What is the molecular weight of Einecs 258-101-2?
The molecular weight of Einecs 258-101-2 is 661.96 g/mol.
Where can I buy Einecs 258-101-2?
You can request a quote for Einecs 258-101-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-101-2?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-101-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.