BAS 00417396
TL;DR: BAS 00417396 (CAS 481702-90-3) is a chemical compound with molecular formula C11H10ClN5OS and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
Also Known As: BAS 00417396, AF-886/31091028, 4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide, 4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide, 4-(3-Chloro-phenylazo)-3-methyl-5-oxo-4,5-dihydro-pyrazole-1-carbothioic acid amide
| Molecular Formula | C11H10ClN5OS |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 2.254 |
| Topological Polar Surface Area | 83.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02945 |
| Heavy Atoms | 19 |
| Complexity | 600.5033 |
Chemical Identifiers
| CAS Number | 481702-90-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)Cl)C(=S)N |
Product Overview
BAS 00417396 (CAS 481702-90-3), with molecular formula C11H10ClN5OS and molecular weight 295.03 g/mol. IUPAC: 4-[(3-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide.
Chemical Property Profile of BAS 00417396
Property Insights of BAS 00417396
The XLogP value of 2.254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00417396. The TPSA of 83.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417396. Following Lipinski's Rule of Five, BAS 00417396 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 00417396?
The CAS number of BAS 00417396 is 481702-90-3.
What is the molecular formula of BAS 00417396?
The molecular formula of BAS 00417396 is C11H10ClN5OS.
What is the molecular weight of BAS 00417396?
The molecular weight of BAS 00417396 is 295.03 g/mol.
Where can I buy BAS 00417396?
You can request a quote for BAS 00417396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417396?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.