CTK3F0051
TL;DR: CTK3F0051 (CAS 84923-22-8) is a chemical compound with molecular formula C24H28N6O8 and molecular weight 528.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methoxy-N-[8-[(4-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide;but-2-enedioic acid
Also Known As: 2-Amino-4-methoxy-N-(8-(p-nitrobenzyl)-3-beta-nortropanyl)-5-pyrimidinecarboxamide maleate, 2-amino-4-methoxy-N-[8-[(4-nitrophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]pyrimidine-5-carboxamide; but-2-enedioic acid, 5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-(p-nitrobenzyl)-3-beta-nortropanyl)-, monomaleate
| Molecular Formula | C24H28N6O8 |
|---|---|
| Molecular Weight | 528.20 g/mol |
| LogP | 1.6128 |
| Topological Polar Surface Area | 211.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.19684 |
| Heavy Atoms | 38 |
| Complexity | 1188.8915 |
Chemical Identifiers
| CAS Number | 84923-22-8 |
|---|---|
| SMILES | COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)[N+](=O)[O-])N.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3F0051 (CAS 84923-22-8), with molecular formula C24H28N6O8 and molecular weight 528.20 g/mol. IUPAC: 2-amino-4-methoxy-N-[8-[(4-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide;but-2-enedioic acid.
Chemical Property Profile of CTK3F0051
Property Insights of CTK3F0051
The XLogP value of 1.6128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK3F0051. The TPSA of 211.11 Ų indicates high polarity, suggesting CTK3F0051 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3F0051 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3F0051?
The CAS number of CTK3F0051 is 84923-22-8.
What is the molecular formula of CTK3F0051?
The molecular formula of CTK3F0051 is C24H28N6O8.
What is the molecular weight of CTK3F0051?
The molecular weight of CTK3F0051 is 528.20 g/mol.
Where can I buy CTK3F0051?
You can request a quote for CTK3F0051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3F0051?
Yes, KEHONG BIO provides custom synthesis services for CTK3F0051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.