EINECS 263-869-7
TL;DR: EINECS 263-869-7 (CAS 63123-20-6) is a chemical compound with molecular formula C27H29NO5S and molecular weight 479.17664 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-ethoxybut-1-enyl)-3-methyl-5-phenyl-1,3-benzoxazol-3-ium;4-methylbenzenesulfonate
Also Known As: 2-(2-Ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate, Benzoxazolium, 2-(2-ethoxy-1-butenyl)-3-methyl-5-phenyl-, salt with 4-methylbenzenesulfonic acid (1:1), 4-Dimethylamino-2,2-diphenyl-pentanoate, methyl ester hydrochloride, Benzoxazolium, 2-(2-ethoxy-1-buten-1-yl)-3-methyl-5-phenyl-, 4-methylbenzenesulfonate (1:1), 2-(2-Ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulfonate
Technical Specifications
| Molecular Formula | C27H29NO5S |
| Molecular Weight | 479.17664 g/mol |
| XLogP | 5.61 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.17664 Da |
| Heavy Atoms | 34 |
| Complexity | 595.0 |
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)C)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | DGWMOZHMDMZOJW-UHFFFAOYSA-M |
Chemical Property Profile of EINECS 263-869-7
Property Insights of EINECS 263-869-7
The XLogP value of 5.61 indicates that EINECS 263-869-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 263-869-7. Following Lipinski's Rule of Five, EINECS 263-869-7 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of EINECS 263-869-7?
The CAS number of EINECS 263-869-7 is 63123-20-6.
What is the molecular formula of EINECS 263-869-7?
The molecular formula of EINECS 263-869-7 is C27H29NO5S.
What is the molecular weight of EINECS 263-869-7?
The molecular weight of EINECS 263-869-7 is 479.17664 g/mol.
Where can I buy EINECS 263-869-7?
You can request a quote for EINECS 263-869-7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for EINECS 263-869-7?
Yes, CoreyChem provides custom synthesis services for EINECS 263-869-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.