![3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate structure](/static/products/5484/54849-69-3.webp)
3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate
TL;DR: 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate (CAS 54849-69-3) is a chemical compound with molecular formula C50H58N4O8S2 and molecular weight 906.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate
Also Known As: 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate
| Molecular Formula | C50H58N4O8S2 |
|---|---|
| Molecular Weight | 906.37 g/mol |
| LogP | 8.4416 |
| Topological Polar Surface Area | 150.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 906.3696 |
| Heavy Atoms | 64 |
| Complexity | 2725.1277 |
Chemical Identifiers
| CAS Number | 54849-69-3 |
|---|---|
| SMILES | CCOC(=O)N1CC[N+](=C\2/C(=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C5=CC=CC=C5C=C4)(C)C)/CC/C2=C\C=C\6/C(C7=C(N6CCCS(=O)(=O)[O-])C8=CC=CC=C8C=C7)(C)C)CC1 |
Product Overview
3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate (CAS 54849-69-3), with molecular formula C50H58N4O8S2 and molecular weight 906.37 g/mol. IUPAC: 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate.
Chemical Property Profile of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate
Property Insights of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate
The XLogP value of 8.4416 indicates that 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.6 Ų indicates high polarity, suggesting 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate has 1 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 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate?
The CAS number of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate is 54849-69-3.
What is the molecular formula of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate?
The molecular formula of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate is C50H58N4O8S2.
What is the molecular weight of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate?
The molecular weight of 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate is 906.37 g/mol.
Where can I buy 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate?
You can request a quote for 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2E)-2-[(2E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(3-sulfopropyl)benzo[g]indol-2-ylidene]ethylidene]-2-(4-ethoxycarbonylpiperazin-1-ium-1-ylidene)cyclopentylidene]ethylidene]-3,3-dimethylbenzo[g]indol-1-yl]propane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.