EINECS 258-485-1
TL;DR: EINECS 258-485-1 (CAS 53332-87-9) is a chemical compound with molecular formula C29H35Cl4N4O6S2+ and molecular weight 739.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid
Also Known As: 5,6-Dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulphobutyl)-1H-benzimidazolium, 1H-Benzimidazolium,5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-, 5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)-1H-benzoimidazole-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-1H-benzoimidazole-3-ium, EINECS 258-485-1
| Molecular Formula | C29H35Cl4N4O6S2+ |
|---|---|
| Molecular Weight | 739.08 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 741.07227 |
| Heavy Atoms | 45 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 53332-87-9 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)O)Cl)Cl)CC)CCCCS(=O)(=O)O)Cl)Cl |
| InChIKey | CXMTVYYZZGALHX-UHFFFAOYSA-O |
Product Overview
EINECS 258-485-1 (CAS 53332-87-9), with molecular formula C29H35Cl4N4O6S2+ and molecular weight 739.08 g/mol. IUPAC: 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid.
Chemical Property Profile of EINECS 258-485-1
Property Insights of EINECS 258-485-1
The XLogP value of 6.6 indicates that EINECS 258-485-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting EINECS 258-485-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 258-485-1 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 258-485-1?
The CAS number of EINECS 258-485-1 is 53332-87-9.
What is the molecular formula of EINECS 258-485-1?
The molecular formula of EINECS 258-485-1 is C29H35Cl4N4O6S2+.
What is the molecular weight of EINECS 258-485-1?
The molecular weight of EINECS 258-485-1 is 739.08 g/mol.
Where can I buy EINECS 258-485-1?
You can request a quote for EINECS 258-485-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 258-485-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 258-485-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.