RefChem:1073271
TL;DR: RefChem:1073271 (CAS 84923-03-5) is a chemical compound with molecular formula C54H64N8O16 and molecular weight 1080.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide);tris((E)-but-2-enedioic acid)
Also Known As: C21H26N4O2.3/2C4H4O4, C21-H26-N4-O2.3/2C4-H4-O4, N-(8-Benzyl-3-beta-nortropanyl)-4-methoxy-2-methyl-5-pyrimidinecarboxamide maleate (2:3), 5-Pyrimidinecarboxamide, N-(8-benzyl-3-beta-nortropanyl)-4-methoxy-2-methyl-, maleate (2:3), N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide; (E)-but-2-enedioic acid
| Molecular Formula | C54H64N8O16 |
|---|---|
| Molecular Weight | 1080.44 g/mol |
| LogP | 4.57344 |
| Topological Polar Surface Area | 358.5 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Exact Mass | 1080.444 |
| Heavy Atoms | 78 |
| Complexity | 2501.21 |
Chemical Identifiers
| CAS Number | 84923-03-5 |
|---|---|
| SMILES | CC1=NC=C(C(=N1)OC)C(=O)NC2CC3N(C(C2)CC3)CC4=CC=CC=C4.CC1=NC=C(C(=N1)OC)C(=O)NC2CC3N(C(C2)CC3)CC4=CC=CC=C4.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:1073271 (CAS 84923-03-5), with molecular formula C54H64N8O16 and molecular weight 1080.44 g/mol. IUPAC: bis(N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methoxy-2-methylpyrimidine-5-carboxamide);tris((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1073271
Property Insights of RefChem:1073271
The XLogP value of 4.57344 indicates that RefChem:1073271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 358.5 Ų indicates high polarity, suggesting RefChem:1073271 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073271 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1073271?
The CAS number of RefChem:1073271 is 84923-03-5.
What is the molecular formula of RefChem:1073271?
The molecular formula of RefChem:1073271 is C54H64N8O16.
What is the molecular weight of RefChem:1073271?
The molecular weight of RefChem:1073271 is 1080.44 g/mol.
Where can I buy RefChem:1073271?
You can request a quote for RefChem:1073271 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073271?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.