AF-399/40634371
TL;DR: AF-399/40634371 (CAS 379249-00-0) is a chemical compound with molecular formula C17H13N5OS and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-6-yldiazenyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: AF-399/40634371, (4E)-4-[2-(1,3-benzothiazol-6-yl)hydrazinylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, 4-(1,3-benzothiazol-6-ylhydrazinylidene)-5-methyl-2-phenylpyrazol-3-one, (4E)-4-(1,3-benzothiazol-6-ylhydrazinylidene)-5-methyl-2-phenylpyrazol-3-one, (4Z)-4-(1,3-benzothiazol-6-ylhydrazinylidene)-5-methyl-2-phenylpyrazol-3-one
| Molecular Formula | C17H13N5OS |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 4.49912 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.08408 |
| Heavy Atoms | 24 |
| Complexity | 1091.077 |
Chemical Identifiers
| CAS Number | 379249-00-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC4=C(C=C3)N=CS4 |
Product Overview
AF-399/40634371 (CAS 379249-00-0), with molecular formula C17H13N5OS and molecular weight 335.08 g/mol. IUPAC: 4-(1,3-benzothiazol-6-yldiazenyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of AF-399/40634371
Property Insights of AF-399/40634371
The XLogP value of 4.49912 indicates that AF-399/40634371 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40634371. Following Lipinski's Rule of Five, AF-399/40634371 has 1 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-399/40634371?
The CAS number of AF-399/40634371 is 379249-00-0.
What is the molecular formula of AF-399/40634371?
The molecular formula of AF-399/40634371 is C17H13N5OS.
What is the molecular weight of AF-399/40634371?
The molecular weight of AF-399/40634371 is 335.08 g/mol.
Where can I buy AF-399/40634371?
You can request a quote for AF-399/40634371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40634371?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40634371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.