KST-1B5224
TL;DR: KST-1B5224 (CAS 5431-69-6) is a chemical compound with molecular formula C15H24ClN5 and molecular weight 309.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
Also Known As: KST-1B5224, 1,3,5-Triazine-2,4-diamine, 1-(4-butylphenyl)-1,6-dihydro-6,6-dimethyl-, monohydrochloride, 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine,hy, 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride, 1-(4-Butylphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine--hydrogen chloride (1/1)
| Molecular Formula | C15H24ClN5 |
|---|---|
| Molecular Weight | 309.17 g/mol |
| LogP | 2.6365 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.17203 |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 5431-69-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N.Cl |
| InChIKey | ZKCLRHXBGCZGEA-UHFFFAOYSA-N |
Product Overview
KST-1B5224 (CAS 5431-69-6), with molecular formula C15H24ClN5 and molecular weight 309.17 g/mol. IUPAC: 1-(4-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
Chemical Property Profile of KST-1B5224
Property Insights of KST-1B5224
The XLogP value of 2.6365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B5224. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B5224. Following Lipinski's Rule of Five, KST-1B5224 has 3 hydrogen bond donor(s) and 1 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 KST-1B5224?
The CAS number of KST-1B5224 is 5431-69-6.
What is the molecular formula of KST-1B5224?
The molecular formula of KST-1B5224 is C15H24ClN5.
What is the molecular weight of KST-1B5224?
The molecular weight of KST-1B5224 is 309.17 g/mol.
Where can I buy KST-1B5224?
You can request a quote for KST-1B5224 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B5224?
Yes, KEHONG BIO provides custom synthesis services for KST-1B5224 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.