C29H33Cl4N4NaO6S2
TL;DR: C29H33Cl4N4NaO6S2 (CAS 18462-64-1) is a chemical compound with molecular formula C29H33Cl4N4NaO6S2 and molecular weight 760.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
Also Known As: 5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutylbenzimidazolinylidene-1-propenyl) benzimidazolium hydroxide, innersalt,sodiumsalt, 1-Ethyl-2-[3-[1-ethyl-2,3-dihydro-3-[4-(sodiosulfo)butyl]-5,6-dichloro-1H-benzimidazole-2-ylidene]-1-propenyl]-3-(4-sulfonatobutyl)-5,6-dichloro-1H-benzimidazole-3-ium, 5,6-Dichloro-2-[[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)-benzimidazol-2-ylidene]-propenyl]-1-ethyl-3-(4-sulfobutyl)-benzimidazolium hydroxide, inner salt, sodium salt, sodium;4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate, sodium;4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-1-sulfonate
| Molecular Formula | C29H33Cl4N4NaO6S2 |
|---|---|
| Molecular Weight | 760.05 g/mol |
| LogP | 3.4182 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 760.0493 |
| Heavy Atoms | 46 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 18462-64-1 |
|---|---|
| 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.[Na+] |
| InChIKey | TXMPYASSIDQAKQ-UHFFFAOYSA-M |
Product Overview
C29H33Cl4N4NaO6S2 (CAS 18462-64-1), with molecular formula C29H33Cl4N4NaO6S2 and molecular weight 760.05 g/mol. IUPAC: sodium 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate.
Chemical Property Profile of C29H33Cl4N4NaO6S2
Property Insights of C29H33Cl4N4NaO6S2
The XLogP value of 3.4182 indicates that C29H33Cl4N4NaO6S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting C29H33Cl4N4NaO6S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C29H33Cl4N4NaO6S2 has 0 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 C29H33Cl4N4NaO6S2?
The CAS number of C29H33Cl4N4NaO6S2 is 18462-64-1.
What is the molecular formula of C29H33Cl4N4NaO6S2?
The molecular formula of C29H33Cl4N4NaO6S2 is C29H33Cl4N4NaO6S2.
What is the molecular weight of C29H33Cl4N4NaO6S2?
The molecular weight of C29H33Cl4N4NaO6S2 is 760.05 g/mol.
Where can I buy C29H33Cl4N4NaO6S2?
You can request a quote for C29H33Cl4N4NaO6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H33Cl4N4NaO6S2?
Yes, KEHONG BIO provides custom synthesis services for C29H33Cl4N4NaO6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.