AI 3-50994
TL;DR: AI 3-50994 (CAS 16274-63-8) is a chemical compound with molecular formula C5H11ClN6 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
Also Known As: ENT 50994, AI3-50994, AI 3-50994, 2,4-Diamino-6-(dimethylamino)-s-triazine hydrochloride, Melamine, N2,N2-dimethyl-, hydrochloride
| Molecular Formula | C5H11ClN6 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | -0.4762 |
| Topological Polar Surface Area | 94.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.07338 |
| Heavy Atoms | 12 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 16274-63-8 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=N1)N)N.Cl |
| InChIKey | SCUFCGDZGFJTSQ-UHFFFAOYSA-N |
Product Overview
AI 3-50994 (CAS 16274-63-8), with molecular formula C5H11ClN6 and molecular weight 190.07 g/mol. IUPAC: 2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride.
Chemical Property Profile of AI 3-50994
Property Insights of AI 3-50994
The XLogP value of -0.4762 indicates that AI 3-50994 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-50994. Following Lipinski's Rule of Five, AI 3-50994 has 3 hydrogen bond donor(s) and 6 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 AI 3-50994?
The CAS number of AI 3-50994 is 16274-63-8.
What is the molecular formula of AI 3-50994?
The molecular formula of AI 3-50994 is C5H11ClN6.
What is the molecular weight of AI 3-50994?
The molecular weight of AI 3-50994 is 190.07 g/mol.
Where can I buy AI 3-50994?
You can request a quote for AI 3-50994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-50994?
Yes, KEHONG BIO provides custom synthesis services for AI 3-50994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.