F2527-0036
TL;DR: F2527-0036 (CAS 877642-66-5) is a chemical compound with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,4-dimethylbenzoate
Also Known As: F2527-0036, (6-methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,4-dimethylbenzoate, [6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]methyl 3,4-dimethylbenzoate, (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,4-dimethylbenzoate
| Molecular Formula | C15H17N3O3S |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.09996 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.09906 |
| Heavy Atoms | 22 |
| Complexity | 771.11334 |
Chemical Identifiers
| CAS Number | 877642-66-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCN2C(=O)C(=NN=C2SC)C)C |
Product Overview
F2527-0036 (CAS 877642-66-5), with molecular formula C15H17N3O3S and molecular weight 319.10 g/mol. IUPAC: (6-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazin-4-yl)methyl 3,4-dimethylbenzoate.
Chemical Property Profile of F2527-0036
Property Insights of F2527-0036
The XLogP value of 2.09996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2527-0036. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for F2527-0036. Following Lipinski's Rule of Five, F2527-0036 has 0 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 F2527-0036?
The CAS number of F2527-0036 is 877642-66-5.
What is the molecular formula of F2527-0036?
The molecular formula of F2527-0036 is C15H17N3O3S.
What is the molecular weight of F2527-0036?
The molecular weight of F2527-0036 is 319.10 g/mol.
Where can I buy F2527-0036?
You can request a quote for F2527-0036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2527-0036?
Yes, KEHONG BIO provides custom synthesis services for F2527-0036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.