Einecs 252-876-0
TL;DR: Einecs 252-876-0 (CAS 36117-75-6) is a chemical compound with molecular formula C34H34N2O10S2 and molecular weight 694.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-butoxysulfonylanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-5-butylbenzenesulfonic acid
Also Known As: 2-[(4-{[4-(butoxysulfonyl)phenyl]amino}-5,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-butylbenzenesulfonic acid, 2(Or 5)-butyl-5(or 2)-((4-((4-butylsulphophenyl)amino)-9,10-dihydro-5,8-dihydroxy-9,10-dioxo-1-anthryl)amino)benzenesulphonic acid, 2-[[4-(4-butoxysulfonylanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-5-butylbenzenesulfonic acid, EINECS 252-876-0
| Molecular Formula | C34H34N2O10S2 |
|---|---|
| Molecular Weight | 694.17 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 694.16547 |
| Heavy Atoms | 48 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 36117-75-6 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)OCCCC)C(=O)C5=C(C=CC(=C5C3=O)O)O)S(=O)(=O)O |
| InChIKey | MUESMVXETQUSQB-UHFFFAOYSA-N |
Product Overview
Einecs 252-876-0 (CAS 36117-75-6), with molecular formula C34H34N2O10S2 and molecular weight 694.17 g/mol. IUPAC: 2-[[4-(4-butoxysulfonylanilino)-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]-5-butylbenzenesulfonic acid.
Chemical Property Profile of Einecs 252-876-0
Property Insights of Einecs 252-876-0
The XLogP value of 8.1 indicates that Einecs 252-876-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting Einecs 252-876-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 252-876-0 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 252-876-0?
The CAS number of Einecs 252-876-0 is 36117-75-6.
What is the molecular formula of Einecs 252-876-0?
The molecular formula of Einecs 252-876-0 is C34H34N2O10S2.
What is the molecular weight of Einecs 252-876-0?
The molecular weight of Einecs 252-876-0 is 694.17 g/mol.
Where can I buy Einecs 252-876-0?
You can request a quote for Einecs 252-876-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 252-876-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 252-876-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.