EINECS 288-074-2
TL;DR: EINECS 288-074-2 (CAS 85650-65-3) is a chemical compound with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid
Also Known As: EINECS 288-074-2, 2-Amino-4-((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl)amino)benzenesulphonic acid, 2-amino-4-[[4-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzoyl]amino]benzenesulphonic acid, 2-amino-4-[[4- benzoyl]amino]benzenesulphonicacid, 2-Amino-4-((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl)amino)benzenesulfonic acid
| Molecular Formula | C17H16N4O5S |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 1.8804 |
| Topological Polar Surface Area | 142.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.08414 |
| Heavy Atoms | 27 |
| Complexity | 1061.2314 |
Chemical Identifiers
| CAS Number | 85650-65-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)S(=O)(=O)O)N |
Product Overview
EINECS 288-074-2 (CAS 85650-65-3), with molecular formula C17H16N4O5S and molecular weight 388.08 g/mol. IUPAC: 2-amino-4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]benzenesulfonic acid.
Chemical Property Profile of EINECS 288-074-2
Property Insights of EINECS 288-074-2
The XLogP value of 1.8804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 288-074-2. The TPSA of 142.16 Ų indicates high polarity, suggesting EINECS 288-074-2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-074-2 has 3 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 EINECS 288-074-2?
The CAS number of EINECS 288-074-2 is 85650-65-3.
What is the molecular formula of EINECS 288-074-2?
The molecular formula of EINECS 288-074-2 is C17H16N4O5S.
What is the molecular weight of EINECS 288-074-2?
The molecular weight of EINECS 288-074-2 is 388.08 g/mol.
Where can I buy EINECS 288-074-2?
You can request a quote for EINECS 288-074-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-074-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-074-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.