Trimetaphan nitroprusside
TL;DR: Trimetaphan nitroprusside (CAS 115722-63-9) is a chemical compound with molecular formula C49H50FeN10O3S2 and molecular weight 946.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanylidyneoxidanium;bis(3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one);iron(2+);pentacyanide
Also Known As: Trimetaphan nitroprusside, Trimethaphan nitroprusside, KST-1B0242, 4(1H)-Pteridinone, 7-(4-fluorophenyl)-, 1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium iron(2+) nitrilooxonium cyanide(2:1:1:5)
| Molecular Formula | C49H50FeN10O3S2 |
|---|---|
| Molecular Weight | 946.29 g/mol |
| LogP | 7.68743 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 946.2858 |
| Heavy Atoms | 65 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 115722-63-9 |
|---|---|
| SMILES | [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5.C1CC2C3C(C[S+]2C1)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5.N#[O+].[Fe+2] |
| InChIKey | QKJSDHFNANBJMK-UHFFFAOYSA-N |
Product Overview
Trimetaphan nitroprusside (CAS 115722-63-9), with molecular formula C49H50FeN10O3S2 and molecular weight 946.29 g/mol. IUPAC: azanylidyneoxidanium;bis(3,5-dibenzyl-8-thionia-3,5-diazatricyclo[6.3.0.02,6]undecan-4-one);iron(2+);pentacyanide.
Chemical Property Profile of Trimetaphan nitroprusside
Property Insights of Trimetaphan nitroprusside
The XLogP value of 7.68743 indicates that Trimetaphan nitroprusside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.0 Ų indicates high polarity, suggesting Trimetaphan nitroprusside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trimetaphan nitroprusside has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimetaphan nitroprusside?
The CAS number of Trimetaphan nitroprusside is 115722-63-9.
What is the molecular formula of Trimetaphan nitroprusside?
The molecular formula of Trimetaphan nitroprusside is C49H50FeN10O3S2.
What is the molecular weight of Trimetaphan nitroprusside?
The molecular weight of Trimetaphan nitroprusside is 946.29 g/mol.
Where can I buy Trimetaphan nitroprusside?
You can request a quote for Trimetaphan nitroprusside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimetaphan nitroprusside?
Yes, KEHONG BIO provides custom synthesis services for Trimetaphan nitroprusside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.