RefChem:1073262
TL;DR: RefChem:1073262 (CAS 84413-97-8) is a chemical compound with molecular formula C50H68N8O24 and molecular weight 1164.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentakis((E)-but-2-enedioic acid);bis(4-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpyrimidine-5-carboxamide)
Also Known As: C15H24N4O2.5/2C4H4O4, 7b,12a-Dihydroxy-5b-cholan-24-oic acid, C15-H24-N4-O2.5/2C4-H4-O4, 5-Pyrimidinecarboxamide, 4-ethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methyl-, fumarate (2:5), (R)-(+)-, 5-Pyrimidinecarboxamide,4-ethoxy-N-( -2-methyl-,fumarate , - -
| Molecular Formula | C50H68N8O24 |
|---|---|
| Molecular Weight | 1164.43 g/mol |
| LogP | 1.35464 |
| Topological Polar Surface Area | 507.7 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 22 |
| Exact Mass | 1164.4347 |
| Heavy Atoms | 82 |
| Complexity | 2233.5059 |
Chemical Identifiers
| CAS Number | 84413-97-8 |
|---|---|
| SMILES | CCN1[C@H](CCC1)CNC(=O)C2=CN=C(N=C2OCC)C.CCN1[C@H](CCC1)CNC(=O)C2=CN=C(N=C2OCC)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073262 (CAS 84413-97-8), with molecular formula C50H68N8O24 and molecular weight 1164.43 g/mol. IUPAC: pentakis((E)-but-2-enedioic acid);bis(4-ethoxy-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpyrimidine-5-carboxamide).
Chemical Property Profile of RefChem:1073262
Property Insights of RefChem:1073262
The XLogP value of 1.35464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073262. The TPSA of 507.7 Ų indicates high polarity, suggesting RefChem:1073262 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073262 has 12 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 RefChem:1073262?
The CAS number of RefChem:1073262 is 84413-97-8.
What is the molecular formula of RefChem:1073262?
The molecular formula of RefChem:1073262 is C50H68N8O24.
What is the molecular weight of RefChem:1073262?
The molecular weight of RefChem:1073262 is 1164.43 g/mol.
Where can I buy RefChem:1073262?
You can request a quote for RefChem:1073262 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073262?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073262 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.