EINECS 259-834-0
TL;DR: EINECS 259-834-0 (CAS 55811-26-2) is a chemical compound with molecular formula C24H26N2O5S2 and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[(5-methoxy-3-methyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: EINECS 259-834-0, 5-Methoxy-3-methyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)benzoxazolium, 3-(2-{2-[(5-methoxy-3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate, 3-[2-[2-[(5-methoxy-3-methyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, 3-[2-[2-Ethyl-3-(5-methoxy-3-methyl-1,3-benzoxazol-3-ium-2-yl)-2-propen-1-ylidene]-1,3-benzothiazol-3(2H)-yl]-1-propanesulfonate
| Molecular Formula | C24H26N2O5S2 |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 4.2963 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.12833 |
| Heavy Atoms | 33 |
| Complexity | 1342.1385 |
Chemical Identifiers
| CAS Number | 55811-26-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)OC)C |
Product Overview
EINECS 259-834-0 (CAS 55811-26-2), with molecular formula C24H26N2O5S2 and molecular weight 486.13 g/mol. IUPAC: 3-[2-[2-[(5-methoxy-3-methyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of EINECS 259-834-0
Property Insights of EINECS 259-834-0
The XLogP value of 4.2963 indicates that EINECS 259-834-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 259-834-0. Following Lipinski's Rule of Five, EINECS 259-834-0 has 0 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 259-834-0?
The CAS number of EINECS 259-834-0 is 55811-26-2.
What is the molecular formula of EINECS 259-834-0?
The molecular formula of EINECS 259-834-0 is C24H26N2O5S2.
What is the molecular weight of EINECS 259-834-0?
The molecular weight of EINECS 259-834-0 is 486.13 g/mol.
Where can I buy EINECS 259-834-0?
You can request a quote for EINECS 259-834-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 259-834-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 259-834-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.