EINECS 218-611-8
TL;DR: EINECS 218-611-8 (CAS 2203-01-2) is a chemical compound with molecular formula C27H25N5O4S2 and molecular weight 547.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione
Also Known As: N-(2-(N-Ethyl-4-((6-(methylsulphonyl)benzothiazol-2-yl)azo)-m-toluidino)ethyl)phthalimide, 2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 2-(2-(ethyl(3-methyl-4-((6-(methylsulfonyl)-2-benzothiazolyl)azo)phenyl)amino)ethyl)-, 1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-, N-[2-[N-ethyl-4-[[6- benzothiazol-2-yl]azo]-m-toluidino]ethyl]phthalimide
| Molecular Formula | C27H25N5O4S2 |
|---|---|
| Molecular Weight | 547.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.1348 |
| Heavy Atoms | 38 |
| Complexity | 993.0 |
Chemical Identifiers
| CAS Number | 2203-01-2 |
|---|---|
| SMILES | CCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3=CC(=C(C=C3)N=NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C)C |
| InChIKey | YBURDRPVRFXIBD-UHFFFAOYSA-N |
Product Overview
EINECS 218-611-8 (CAS 2203-01-2), with molecular formula C27H25N5O4S2 and molecular weight 547.13 g/mol. IUPAC: 2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione.
Chemical Property Profile of EINECS 218-611-8
Property Insights of EINECS 218-611-8
The XLogP value of 5.3 indicates that EINECS 218-611-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting EINECS 218-611-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 218-611-8 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 218-611-8?
The CAS number of EINECS 218-611-8 is 2203-01-2.
What is the molecular formula of EINECS 218-611-8?
The molecular formula of EINECS 218-611-8 is C27H25N5O4S2.
What is the molecular weight of EINECS 218-611-8?
The molecular weight of EINECS 218-611-8 is 547.13 g/mol.
Where can I buy EINECS 218-611-8?
You can request a quote for EINECS 218-611-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 218-611-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 218-611-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.