BAS 00488941
TL;DR: BAS 00488941 (CAS 5722-28-1) is a chemical compound with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
Also Known As: BAS 00488941, 3-{(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid, 3-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}benzoic acid, 3-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid, 3-[(2Z)-2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C17H13N5O5 |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 3.49582 |
| Topological Polar Surface Area | 142.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.09167 |
| Heavy Atoms | 27 |
| Complexity | 1111.4879 |
Chemical Identifiers
| CAS Number | 5722-28-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=CC(=C3)C(=O)O |
Product Overview
BAS 00488941 (CAS 5722-28-1), with molecular formula C17H13N5O5 and molecular weight 367.09 g/mol. IUPAC: 3-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid.
Chemical Property Profile of BAS 00488941
Property Insights of BAS 00488941
The XLogP value of 3.49582 indicates that BAS 00488941 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.95 Ų indicates high polarity, suggesting BAS 00488941 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00488941 has 2 hydrogen bond donor(s) and 6 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 00488941?
The CAS number of BAS 00488941 is 5722-28-1.
What is the molecular formula of BAS 00488941?
The molecular formula of BAS 00488941 is C17H13N5O5.
What is the molecular weight of BAS 00488941?
The molecular weight of BAS 00488941 is 367.09 g/mol.
Where can I buy BAS 00488941?
You can request a quote for BAS 00488941 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00488941?
Yes, KEHONG BIO provides custom synthesis services for BAS 00488941 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.