EINECS 259-833-5
TL;DR: EINECS 259-833-5 (CAS 55811-25-1) is a chemical compound with molecular formula C27H32N2O4S2Se and molecular weight 592.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2Z)-5-ethoxy-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: EINECS 259-833-5, 5-ethoxy-2-[2-[ methyl]but-1-enyl]-3- benzothiazolium, 5-Ethoxy-2-(2-((3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium, 3-[5-ethoxy-2-[2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate, 3-[(2Z)-5-ethoxy-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
| Molecular Formula | C27H32N2O4S2Se |
|---|---|
| Molecular Weight | 592.10 g/mol |
| LogP | 5.09372 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 592.09686 |
| Heavy Atoms | 36 |
| Complexity | 1427.0415 |
Chemical Identifiers
| CAS Number | 55811-25-1 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C([Se]1)C=CC(=C2)C)CC)/C=C\3/N(C4=C(S3)C=CC(=C4)OCC)CCCS(=O)(=O)[O-] |
Product Overview
EINECS 259-833-5 (CAS 55811-25-1), with molecular formula C27H32N2O4S2Se and molecular weight 592.10 g/mol. IUPAC: 3-[(2Z)-5-ethoxy-2-[(2E)-2-[(3-ethyl-5-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of EINECS 259-833-5
Property Insights of EINECS 259-833-5
The XLogP value of 5.09372 indicates that EINECS 259-833-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-833-5. Following Lipinski's Rule of Five, EINECS 259-833-5 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 259-833-5?
The CAS number of EINECS 259-833-5 is 55811-25-1.
What is the molecular formula of EINECS 259-833-5?
The molecular formula of EINECS 259-833-5 is C27H32N2O4S2Se.
What is the molecular weight of EINECS 259-833-5?
The molecular weight of EINECS 259-833-5 is 592.10 g/mol.
Where can I buy EINECS 259-833-5?
You can request a quote for EINECS 259-833-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-833-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-833-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.