CTK3E9889
TL;DR: CTK3E9889 (CAS 84332-17-2) is a chemical compound with molecular formula C16H23N5O6 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-(1-ethylpyrrolidin-3-yl)-4-methoxypyrimidine-5-carboxamide;but-2-enedioic acid
Also Known As: 5-Pyrimidinecarboxamide, 2-amino-N-(1-ethyl-3-pyrrolidinyl)-4-methoxy-, (E)-2-butenedioate (1:1)
| Molecular Formula | C16H23N5O6 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | -0.3968 |
| Topological Polar Surface Area | 167.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.16483 |
| Heavy Atoms | 27 |
| Complexity | 692.5413 |
Chemical Identifiers
| CAS Number | 84332-17-2 |
|---|---|
| SMILES | CCN1CCC(C1)NC(=O)C2=CN=C(N=C2OC)N.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3E9889 (CAS 84332-17-2), with molecular formula C16H23N5O6 and molecular weight 381.16 g/mol. IUPAC: 2-amino-N-(1-ethylpyrrolidin-3-yl)-4-methoxypyrimidine-5-carboxamide;but-2-enedioic acid.
Chemical Property Profile of CTK3E9889
Property Insights of CTK3E9889
The XLogP value of -0.3968 indicates that CTK3E9889 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.97 Ų indicates high polarity, suggesting CTK3E9889 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9889 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 CTK3E9889?
The CAS number of CTK3E9889 is 84332-17-2.
What is the molecular formula of CTK3E9889?
The molecular formula of CTK3E9889 is C16H23N5O6.
What is the molecular weight of CTK3E9889?
The molecular weight of CTK3E9889 is 381.16 g/mol.
Where can I buy CTK3E9889?
You can request a quote for CTK3E9889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9889?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.