EINECS 220-230-7
TL;DR: EINECS 220-230-7 (CAS 2678-71-9) is a chemical compound with molecular formula C36H22O10S2 and molecular weight 678.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(30,34-dimethoxy-21-sulfooxy-12-nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3,5(33),6,8,10,12,14,16,18,20,22,24,26,28,31-heptadecaenyl) hydrogen sulfate
Also Known As: 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate), 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulfate), 16,17-Dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diol 5,10-bissulfate, 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(hydrogen sulphate), Anthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diol, 16,17-dimethoxy-, bis(hydrogen sulfate)
| Molecular Formula | C36H22O10S2 |
|---|---|
| Molecular Weight | 678.07 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 678.0654 |
| Heavy Atoms | 48 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 2678-71-9 |
|---|---|
| SMILES | COC1=C2C3=C4C(=C(C5=CC=CC=C5C4=C1)OS(=O)(=O)O)C=CC3=C6C=CC7=C(C8=CC=CC=C8C9=CC(=C2C6=C79)OC)OS(=O)(=O)O |
| InChIKey | KCMFSDZVTDTUCH-UHFFFAOYSA-N |
Product Overview
EINECS 220-230-7 (CAS 2678-71-9), with molecular formula C36H22O10S2 and molecular weight 678.07 g/mol. IUPAC: (30,34-dimethoxy-21-sulfooxy-12-nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3,5(33),6,8,10,12,14,16,18,20,22,24,26,28,31-heptadecaenyl) hydrogen sulfate.
Chemical Property Profile of EINECS 220-230-7
Property Insights of EINECS 220-230-7
The XLogP value of 8.7 indicates that EINECS 220-230-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting EINECS 220-230-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 220-230-7 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 220-230-7?
The CAS number of EINECS 220-230-7 is 2678-71-9.
What is the molecular formula of EINECS 220-230-7?
The molecular formula of EINECS 220-230-7 is C36H22O10S2.
What is the molecular weight of EINECS 220-230-7?
The molecular weight of EINECS 220-230-7 is 678.07 g/mol.
Where can I buy EINECS 220-230-7?
You can request a quote for EINECS 220-230-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 220-230-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 220-230-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.