RefChem:238994
TL;DR: RefChem:238994 (CAS 90094-62-5) is a chemical compound with molecular formula C27H40N4O8S2 and molecular weight 612.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium
Also Known As: 1H-Indole-2-methanaminium, 5,5'-methylenebis(N,N,N-trimethyl-, bis(methyl sulfate), 2,2'-Di(trimethylammoniummethyl)-bis(5-indolyl)methane dimethylsulfate, 5,5'-Methylenebis(N,N,N-trimethyl-1H-indole-2-methanaminium) bis(methyl sulfate), methyl sulfate; trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium, N,N'-[Methylenebis(1H-indole-5,2-diylmethylene)]bis(N,N-dimethylmethanaminium) bis(methyl sulfate)
| Molecular Formula | C27H40N4O8S2 |
|---|---|
| Molecular Weight | 612.23 g/mol |
| LogP | 2.84 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.22876 |
| Heavy Atoms | 41 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 90094-62-5 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | OKYUCIOZVXYWGA-UHFFFAOYSA-L |
Product Overview
RefChem:238994 (CAS 90094-62-5), with molecular formula C27H40N4O8S2 and molecular weight 612.23 g/mol. IUPAC: methyl sulfate;trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium.
Chemical Property Profile of RefChem:238994
Property Insights of RefChem:238994
The XLogP value of 2.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:238994. The TPSA of 181.0 Ų indicates high polarity, suggesting RefChem:238994 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:238994 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 RefChem:238994?
The CAS number of RefChem:238994 is 90094-62-5.
What is the molecular formula of RefChem:238994?
The molecular formula of RefChem:238994 is C27H40N4O8S2.
What is the molecular weight of RefChem:238994?
The molecular weight of RefChem:238994 is 612.23 g/mol.
Where can I buy RefChem:238994?
You can request a quote for RefChem:238994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238994?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.