RefChem:1063786
TL;DR: RefChem:1063786 (CAS 70551-91-6) is a chemical compound with molecular formula C13H16ClN5O and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylpropanoylamino)-(5-phenyl-1,2,4-triazin-3-yl)azanium chloride
Also Known As: 3-(Isobutyrylhydrazino)-5-phenyl-1,2,4-triazine, hydrochloride, (2-methylpropanoylamino)-(5-phenyl-1,2,4-triazin-3-yl)azanium chloride, ISOBUTYRIC ACID, 2-(5-PHENYL-3-as-TRIAZINYL)HYDRAZIDE, HYDROCHLORIDE, 2-Methyl-N-(5-phenyl-1,2,4-triazin-3-yl)propanehydrazonic acid--hydrogen chloride (1/1), RefChem:1063786
| Molecular Formula | C13H16ClN5O |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | -2.58 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.10434 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 70551-91-6 |
|---|---|
| SMILES | CC(C)C(=O)N[NH2+]C1=NC(=CN=N1)C2=CC=CC=C2.[Cl-] |
| InChIKey | BSXDAGNPCMVYCH-UHFFFAOYSA-N |
Product Overview
RefChem:1063786 (CAS 70551-91-6), with molecular formula C13H16ClN5O and molecular weight 293.10 g/mol. IUPAC: (2-methylpropanoylamino)-(5-phenyl-1,2,4-triazin-3-yl)azanium chloride.
Chemical Property Profile of RefChem:1063786
Property Insights of RefChem:1063786
The XLogP value of -2.58 indicates that RefChem:1063786 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1063786. Following Lipinski's Rule of Five, RefChem:1063786 has 2 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:1063786?
The CAS number of RefChem:1063786 is 70551-91-6.
What is the molecular formula of RefChem:1063786?
The molecular formula of RefChem:1063786 is C13H16ClN5O.
What is the molecular weight of RefChem:1063786?
The molecular weight of RefChem:1063786 is 293.10 g/mol.
Where can I buy RefChem:1063786?
You can request a quote for RefChem:1063786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.