RefChem:326003
TL;DR: RefChem:326003 (CAS 72990-72-8) is a chemical compound with molecular formula C26H42N4O12S2 and molecular weight 666.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazanium;methyl sulfate
Also Known As: Benzo(1,2-b:3,4-b')dipyrrole-3,8-dimethanaminium, 1,6-dihydro-2,7-bis(ethoxycarbonyl)-N,N,N,N',N',N'-hexamethyl-, bis(methylsulfate), 3,8-Di(trimethylammoniummethyl)-1H,6H-pyrrolo(2,3-e)indole dimethylsulfate, [2,7-Bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-g]indol-8-yl]methyl-trimethylazanium; methylsulfate, BENZO(1,2-b:3,4-b')DIPYRROLE-3,8-DIMETHANAMINIUM, 1,6-DIHYDRO-2,7-BIS(ETHOXYCARB, [2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazanium; methyl sulfate
| Molecular Formula | C26H42N4O12S2 |
|---|---|
| Molecular Weight | 666.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 666.22406 |
| Heavy Atoms | 44 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 72990-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C3=C(C=C2)NC(=C3C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | ODPYZUQFLCDLMT-UHFFFAOYSA-N |
Product Overview
RefChem:326003 (CAS 72990-72-8), with molecular formula C26H42N4O12S2 and molecular weight 666.22 g/mol. IUPAC: [2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of RefChem:326003
Property Insights of RefChem:326003
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:326003. The TPSA of 234.0 Ų indicates high polarity, suggesting RefChem:326003 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:326003 has 2 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 RefChem:326003?
The CAS number of RefChem:326003 is 72990-72-8.
What is the molecular formula of RefChem:326003?
The molecular formula of RefChem:326003 is C26H42N4O12S2.
What is the molecular weight of RefChem:326003?
The molecular weight of RefChem:326003 is 666.22 g/mol.
Where can I buy RefChem:326003?
You can request a quote for RefChem:326003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326003?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.