KST-1A7809
TL;DR: KST-1A7809 (CAS 717-14-6) is a chemical compound with molecular formula C13H18N6 and molecular weight 258.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-1-(2-methyl-4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine
Also Known As: KST-1A7809, (6e)-6-imino-1-[2-methyl-4-(propan-2-yl)phenyl]-1,6-dihydro-1,3,5-triazine-2,4-diamine, 6-imino-1-(2-methyl-4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine, 6-imino-1-(2-methyl-4-propan-2-ylphenyl)-1,3,5-triazine-2,4-, 6-Imino-1-(4-isopropyl-2-methylphenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
| Molecular Formula | C13H18N6 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.1593 |
| Heavy Atoms | 19 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 717-14-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)C)N2C(=NC(=NC2=N)N)N |
| InChIKey | OVGMLGJJSMKCJW-UHFFFAOYSA-N |
Product Overview
KST-1A7809 (CAS 717-14-6), with molecular formula C13H18N6 and molecular weight 258.16 g/mol. IUPAC: 6-imino-1-(2-methyl-4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of KST-1A7809
Property Insights of KST-1A7809
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A7809. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A7809. Following Lipinski's Rule of Five, KST-1A7809 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-1A7809?
The CAS number of KST-1A7809 is 717-14-6.
What is the molecular formula of KST-1A7809?
The molecular formula of KST-1A7809 is C13H18N6.
What is the molecular weight of KST-1A7809?
The molecular weight of KST-1A7809 is 258.16 g/mol.
Where can I buy KST-1A7809?
You can request a quote for KST-1A7809 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A7809?
Yes, KEHONG BIO provides custom synthesis services for KST-1A7809 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.