AF-399/13806053
TL;DR: AF-399/13806053 (CAS 307346-86-7) is a chemical compound with molecular formula C12H13N5O2 and molecular weight 259.11 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)-pyridin-3-ylmethylideneamino]acetamide
Also Known As: AF-399/13806053, 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide, 2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-(3-pyridinylmethylene)acetohydrazide, 2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide, (E)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-(pyridin-3-ylmethylene)acetohydrazide
| Molecular Formula | C12H13N5O2 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 0.0437 |
| Topological Polar Surface Area | 95.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.10693 |
| Heavy Atoms | 19 |
| Complexity | 538.31055 |
Chemical Identifiers
| CAS Number | 307346-86-7 |
|---|---|
| SMILES | CC1=NNC(=O)C1CC(=O)N/N=C/C2=CN=CC=C2 |
Product Overview
AF-399/13806053 (CAS 307346-86-7), with molecular formula C12H13N5O2 and molecular weight 259.11 g/mol. IUPAC: 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
Chemical Property Profile of AF-399/13806053
Property Insights of AF-399/13806053
The XLogP value of 0.0437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13806053. The TPSA of 95.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13806053. Following Lipinski's Rule of Five, AF-399/13806053 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-399/13806053?
The CAS number of AF-399/13806053 is 307346-86-7.
What is the molecular formula of AF-399/13806053?
The molecular formula of AF-399/13806053 is C12H13N5O2.
What is the molecular weight of AF-399/13806053?
The molecular weight of AF-399/13806053 is 259.11 g/mol.
Where can I buy AF-399/13806053?
You can request a quote for AF-399/13806053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13806053?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13806053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.