RefChem:349795
TL;DR: RefChem:349795 (CAS 56340-88-6) is a chemical compound with molecular formula C14H19ClN4O and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-3,5-dicyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Also Known As: Isophthalonitrile, 2-amino-5-(2-(tert-butylamino)-1-hydroxyethyl)-, hydrochloride, 2-Amino-5-(2-(tert-butylamino)-1-hydroxyethyl)isophthalonitrile hydrochloride, 1,3-Benzenedicarbonitrile, 2-amino-5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-, HCl, [2-(4-amino-3,5-dicyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride, RefChem:349795
| Molecular Formula | C14H19ClN4O |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | -2.59 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.12473 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 56340-88-6 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)C#N)N)C#N)O.[Cl-] |
| InChIKey | OMDDZLHQQVNNRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:349795 (CAS 56340-88-6), with molecular formula C14H19ClN4O and molecular weight 294.12 g/mol. IUPAC: [2-(4-amino-3,5-dicyanophenyl)-2-hydroxyethyl]-tert-butylazanium chloride.
Chemical Property Profile of RefChem:349795
Property Insights of RefChem:349795
The XLogP value of -2.59 indicates that RefChem:349795 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:349795. Following Lipinski's Rule of Five, RefChem:349795 has 3 hydrogen bond donor(s) and 5 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 RefChem:349795?
The CAS number of RefChem:349795 is 56340-88-6.
What is the molecular formula of RefChem:349795?
The molecular formula of RefChem:349795 is C14H19ClN4O.
What is the molecular weight of RefChem:349795?
The molecular weight of RefChem:349795 is 294.12 g/mol.
Where can I buy RefChem:349795?
You can request a quote for RefChem:349795 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349795?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349795 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.