Ki 1769
TL;DR: Ki 1769 (CAS 133300-00-2) is a chemical compound with molecular formula C15H14N4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyano-N'-(2-phenylethyl)pyridine-3-carboximidamide
Also Known As: Ki 1769, 4-Dimethylamino-1-butanol, N-CYANO-N'-(2-PHENYLETHYL)-3-PYRIDINECARBOXIMIDAMIDE, N1-Phenethyl-N2-cyano-3-pyridinecarboxamidine, N-cyano-N'-phenethylpyridine-3-carboximidamide
| Molecular Formula | C15H14N4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12184 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 133300-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN=C(C2=CN=CC=C2)NC#N |
| InChIKey | SUPZSNPDPSPMTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ki 1769 (CAS 133300-00-2), with molecular formula C15H14N4 and molecular weight 250.12 g/mol. IUPAC: N-cyano-N'-(2-phenylethyl)pyridine-3-carboximidamide.
Chemical Property Profile of Ki 1769
Property Insights of Ki 1769
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ki 1769. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ki 1769. Following Lipinski's Rule of Five, Ki 1769 has 1 hydrogen bond donor(s) and 3 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 Ki 1769?
The CAS number of Ki 1769 is 133300-00-2.
What is the molecular formula of Ki 1769?
The molecular formula of Ki 1769 is C15H14N4.
What is the molecular weight of Ki 1769?
The molecular weight of Ki 1769 is 250.12 g/mol.
Where can I buy Ki 1769?
You can request a quote for Ki 1769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ki 1769?
Yes, KEHONG BIO provides custom synthesis services for Ki 1769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.