AF-399/13806055
TL;DR: AF-399/13806055 (CAS 307346-87-8) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
Also Known As: AF-399/13806055, 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide, 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide, 2-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YL)-N'-[(E)-(3-METHYLTHIOPHEN-2-YL)METHYLIDENE]ACETOHYDRAZIDE, (3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-acetic acid [1-(3-methyl-thiophen-2-yl)-meth-(E)-ylidene]-hydrazide
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.01862 |
| Topological Polar Surface Area | 82.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 561.83057 |
Chemical Identifiers
| CAS Number | 307346-87-8 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/NC(=O)CC2C(=NNC2=O)C |
Product Overview
AF-399/13806055 (CAS 307346-87-8), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide.
Chemical Property Profile of AF-399/13806055
Property Insights of AF-399/13806055
The XLogP value of 1.01862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13806055. The TPSA of 82.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806055. Following Lipinski's Rule of Five, AF-399/13806055 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 AF-399/13806055?
The CAS number of AF-399/13806055 is 307346-87-8.
What is the molecular formula of AF-399/13806055?
The molecular formula of AF-399/13806055 is C12H14N4O2S.
What is the molecular weight of AF-399/13806055?
The molecular weight of AF-399/13806055 is 278.08 g/mol.
Where can I buy AF-399/13806055?
You can request a quote for AF-399/13806055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806055?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.