BAS 00669046
TL;DR: BAS 00669046 (CAS 314293-30-6) is a chemical compound with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoic acid
Also Known As: BAS 00669046, AN-329/40258106, 2-hydroxy-4-[2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino]benzoic acid, (Z)-2-hydroxy-4-(2-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid, 2-hydroxy-4-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzoic acid
| Molecular Formula | C17H14N4O4 |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 3.29322 |
| Topological Polar Surface Area | 120.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.1015 |
| Heavy Atoms | 25 |
| Complexity | 1018.87225 |
Chemical Identifiers
| CAS Number | 314293-30-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=CC(=C(C=C3)C(=O)O)O |
Product Overview
BAS 00669046 (CAS 314293-30-6), with molecular formula C17H14N4O4 and molecular weight 338.10 g/mol. IUPAC: 2-hydroxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoic acid.
Chemical Property Profile of BAS 00669046
Property Insights of BAS 00669046
The XLogP value of 3.29322 indicates that BAS 00669046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00669046. Following Lipinski's Rule of Five, BAS 00669046 has 3 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 00669046?
The CAS number of BAS 00669046 is 314293-30-6.
What is the molecular formula of BAS 00669046?
The molecular formula of BAS 00669046 is C17H14N4O4.
What is the molecular weight of BAS 00669046?
The molecular weight of BAS 00669046 is 338.10 g/mol.
Where can I buy BAS 00669046?
You can request a quote for BAS 00669046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00669046?
Yes, KEHONG BIO provides custom synthesis services for BAS 00669046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.