Cni-H0294
TL;DR: Cni-H0294 (CAS 180740-99-2) is a chemical compound with molecular formula C16H19ClN4O2 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone;hydrochloride
Also Known As: CNI-H0294, KST-1B1227, H 0294, H-0294, 2-Amino-4-(3,5-diacetylphenyl)amino-1,6-dimethylpyrimidinium chloride
| Molecular Formula | C16H19ClN4O2 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 2.37 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.11966 |
| Heavy Atoms | 23 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 180740-99-2 |
|---|---|
| SMILES | CC1=CC(=NC2=CC(=CC(=C2)C(=O)C)C(=O)C)N=C(N1C)N.Cl |
| InChIKey | MPCCEBBDYNZILE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cni-H0294 (CAS 180740-99-2), with molecular formula C16H19ClN4O2 and molecular weight 334.12 g/mol. IUPAC: 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]phenyl]ethanone;hydrochloride.
Chemical Property Profile of Cni-H0294
Property Insights of Cni-H0294
The XLogP value of 2.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cni-H0294. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cni-H0294. Following Lipinski's Rule of Five, Cni-H0294 has 2 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 Cni-H0294?
The CAS number of Cni-H0294 is 180740-99-2.
What is the molecular formula of Cni-H0294?
The molecular formula of Cni-H0294 is C16H19ClN4O2.
What is the molecular weight of Cni-H0294?
The molecular weight of Cni-H0294 is 334.12 g/mol.
Where can I buy Cni-H0294?
You can request a quote for Cni-H0294 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cni-H0294?
Yes, KEHONG BIO provides custom synthesis services for Cni-H0294 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.