CTK2I0093
TL;DR: CTK2I0093 (CAS 76351-83-2) is a chemical compound with molecular formula C25H31N5O6 and molecular weight 497.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide;but-2-enedioic acid
Also Known As: 2-Amino-N-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-5-pyrimidinecarboxamide maleate, 5-Pyrimidinecarboxamide, 2-amino-N-(8-benzyl-3-beta-nortropanyl)-4-ethoxy-, monomaleate, 2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]oct-3-yl)-4-ethoxy-pyrimidine-5-carboxamide; but-2-enedioic acid
| Molecular Formula | C25H31N5O6 |
|---|---|
| Molecular Weight | 497.23 g/mol |
| LogP | 2.0947 |
| Topological Polar Surface Area | 167.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.22745 |
| Heavy Atoms | 36 |
| Complexity | 1063.6023 |
Chemical Identifiers
| CAS Number | 76351-83-2 |
|---|---|
| SMILES | CCOC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)N.C(=CC(=O)O)C(=O)O |
Product Overview
CTK2I0093 (CAS 76351-83-2), with molecular formula C25H31N5O6 and molecular weight 497.23 g/mol. IUPAC: 2-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-4-ethoxypyrimidine-5-carboxamide;but-2-enedioic acid.
Chemical Property Profile of CTK2I0093
Property Insights of CTK2I0093
The XLogP value of 2.0947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK2I0093. The TPSA of 167.97 Ų indicates high polarity, suggesting CTK2I0093 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK2I0093 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK2I0093?
The CAS number of CTK2I0093 is 76351-83-2.
What is the molecular formula of CTK2I0093?
The molecular formula of CTK2I0093 is C25H31N5O6.
What is the molecular weight of CTK2I0093?
The molecular weight of CTK2I0093 is 497.23 g/mol.
Where can I buy CTK2I0093?
You can request a quote for CTK2I0093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2I0093?
Yes, KEHONG BIO provides custom synthesis services for CTK2I0093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.