BAS 00417409
TL;DR: BAS 00417409 (CAS 327169-14-2) is a chemical compound with molecular formula C11H10FN5OS and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
Also Known As: BAS 00417409, AN-329/40196039, 4-[(4-fluorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(4-fluorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide, (E)-4-((4-fluorophenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
| Molecular Formula | C11H10FN5OS |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 1.7397 |
| Topological Polar Surface Area | 83.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.05902 |
| Heavy Atoms | 19 |
| Complexity | 583.2533 |
Chemical Identifiers
| CAS Number | 327169-14-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)F)C(=S)N |
Product Overview
BAS 00417409 (CAS 327169-14-2), with molecular formula C11H10FN5OS and molecular weight 279.06 g/mol. IUPAC: 4-[(4-fluorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide.
Chemical Property Profile of BAS 00417409
Property Insights of BAS 00417409
The XLogP value of 1.7397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00417409. The TPSA of 83.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417409. Following Lipinski's Rule of Five, BAS 00417409 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 BAS 00417409?
The CAS number of BAS 00417409 is 327169-14-2.
What is the molecular formula of BAS 00417409?
The molecular formula of BAS 00417409 is C11H10FN5OS.
What is the molecular weight of BAS 00417409?
The molecular weight of BAS 00417409 is 279.06 g/mol.
Where can I buy BAS 00417409?
You can request a quote for BAS 00417409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417409?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.