EINECS 242-230-6
TL;DR: EINECS 242-230-6 (CAS 18360-24-2) is a chemical compound with molecular formula C39H39N2NaO8S2 and molecular weight 750.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[(2Z)-5-phenyl-2-[(2E)-2-[[5-phenyl-3-(3-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-2-sulfonate
Also Known As: EINECS 242-230-6, Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfobutyl)-, inner salt, sodium salt (1:1), Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfobutyl)-, inner salt, sodium salt, Benzoxazolium, 5-phenyl-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfobutyl)-, inner salt, sodium salt (1:1), Hydrogen-5-phenyl-2-(2-((5-phenyl-3-(3-sulphonatebutyl)-3H-benzoxazol-2-ylidene)methyl)but-2-enyl)-3-(3-sulphonatebutyl)benzoxazolium, sodium salt
| Molecular Formula | C39H39N2NaO8S2 |
|---|---|
| Molecular Weight | 750.20 g/mol |
| LogP | 4.2397 |
| Topological Polar Surface Area | 143.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 750.2045 |
| Heavy Atoms | 52 |
| Complexity | 2324.3 |
Chemical Identifiers
| CAS Number | 18360-24-2 |
|---|---|
| SMILES | CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C)S(=O)(=O)[O-])/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCC(C)S(=O)(=O)[O-].[Na+] |
Product Overview
EINECS 242-230-6 (CAS 18360-24-2), with molecular formula C39H39N2NaO8S2 and molecular weight 750.20 g/mol. IUPAC: sodium 4-[(2Z)-5-phenyl-2-[(2E)-2-[[5-phenyl-3-(3-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-2-sulfonate.
Chemical Property Profile of EINECS 242-230-6
Property Insights of EINECS 242-230-6
The XLogP value of 4.2397 indicates that EINECS 242-230-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.89 Ų indicates high polarity, suggesting EINECS 242-230-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 242-230-6 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 242-230-6?
The CAS number of EINECS 242-230-6 is 18360-24-2.
What is the molecular formula of EINECS 242-230-6?
The molecular formula of EINECS 242-230-6 is C39H39N2NaO8S2.
What is the molecular weight of EINECS 242-230-6?
The molecular weight of EINECS 242-230-6 is 750.20 g/mol.
Where can I buy EINECS 242-230-6?
You can request a quote for EINECS 242-230-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 242-230-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 242-230-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.