C28H43N3O8.1/2H2O4S
TL;DR: C28H43N3O8.1/2H2O4S (CAS 84456-48-4) is a chemical compound with molecular formula C56H88N6O20S and molecular weight 1196.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylpropyl 3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate);sulfuric acid
Also Known As: C28H43N3O8.1/2H2O4S, C28-H43-N3-O8.1/2H2-O4-S, Oxiranecarboxylic acid, 3-(((3-methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)-, 2-methylpropyl ester, sulfate (2:1), 2-methylpropyl 3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate; sulfuric acid, RefChem:1094067
| Molecular Formula | C56H88N6O20S |
|---|---|
| Molecular Weight | 1196.58 g/mol |
| LogP | 3.0554 |
| Topological Polar Surface Area | 312.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Exact Mass | 1196.5774 |
| Heavy Atoms | 83 |
| Complexity | 2420.2407 |
Chemical Identifiers
| CAS Number | 84456-48-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)NC(=O)C3C(O3)C(=O)OCC(C)C.CC(C)CC(C(=O)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC)NC(=O)C3C(O3)C(=O)OCC(C)C.OS(=O)(=O)O |
Product Overview
C28H43N3O8.1/2H2O4S (CAS 84456-48-4), with molecular formula C56H88N6O20S and molecular weight 1196.58 g/mol. IUPAC: bis(2-methylpropyl 3-[[4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate);sulfuric acid.
Chemical Property Profile of C28H43N3O8.1/2H2O4S
Property Insights of C28H43N3O8.1/2H2O4S
The XLogP value of 3.0554 indicates that C28H43N3O8.1/2H2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 312.94 Ų indicates high polarity, suggesting C28H43N3O8.1/2H2O4S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H43N3O8.1/2H2O4S has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H43N3O8.1/2H2O4S?
The CAS number of C28H43N3O8.1/2H2O4S is 84456-48-4.
What is the molecular formula of C28H43N3O8.1/2H2O4S?
The molecular formula of C28H43N3O8.1/2H2O4S is C56H88N6O20S.
What is the molecular weight of C28H43N3O8.1/2H2O4S?
The molecular weight of C28H43N3O8.1/2H2O4S is 1196.58 g/mol.
Where can I buy C28H43N3O8.1/2H2O4S?
You can request a quote for C28H43N3O8.1/2H2O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H43N3O8.1/2H2O4S?
Yes, KEHONG BIO provides custom synthesis services for C28H43N3O8.1/2H2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.