BAS 00443505
TL;DR: BAS 00443505 (CAS 53847-59-9) is a chemical compound with molecular formula C17H13N5O and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzonitrile
Also Known As: BAS 00443505, 2-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzonitrile, 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzonitrile, 2-[2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzonitrile, (E)-2-(2-(3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzonitrile
| Molecular Formula | C17H13N5O |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.112 |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 53847-59-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC=CC=C3C#N |
| InChIKey | SPCRTYRUHVUNIT-UHFFFAOYSA-N |
Product Overview
BAS 00443505 (CAS 53847-59-9), with molecular formula C17H13N5O and molecular weight 303.11 g/mol. IUPAC: 2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzonitrile.
Chemical Property Profile of BAS 00443505
Property Insights of BAS 00443505
The XLogP value of 3.6 indicates that BAS 00443505 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00443505. Following Lipinski's Rule of Five, BAS 00443505 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 00443505?
The CAS number of BAS 00443505 is 53847-59-9.
What is the molecular formula of BAS 00443505?
The molecular formula of BAS 00443505 is C17H13N5O.
What is the molecular weight of BAS 00443505?
The molecular weight of BAS 00443505 is 303.11 g/mol.
Where can I buy BAS 00443505?
You can request a quote for BAS 00443505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00443505?
Yes, KEHONG BIO provides custom synthesis services for BAS 00443505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.