RefChem:76514
TL;DR: RefChem:76514 (CAS 75476-93-6) is a chemical compound with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1-sulfonic acid
Also Known As: 7-3-hydroxynaphthalene-1-sulphonicacid, 7- -3-hydroxynaphthalene-1-sulphonicacid, 1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-, 7-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-1-naphthalenesulfonic acid, 3-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1-sulfonic acid
| Molecular Formula | C14H12N2O5S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0467 |
| Heavy Atoms | 22 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 75476-93-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC3=C(C=C(C=C3C=C2)O)S(=O)(=O)O |
| InChIKey | GZMUIZGBSSTJPC-UHFFFAOYSA-N |
Product Overview
RefChem:76514 (CAS 75476-93-6), with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol. IUPAC: 3-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1-sulfonic acid.
Chemical Property Profile of RefChem:76514
Property Insights of RefChem:76514
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:76514. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:76514. Following Lipinski's Rule of Five, RefChem:76514 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 RefChem:76514?
The CAS number of RefChem:76514 is 75476-93-6.
What is the molecular formula of RefChem:76514?
The molecular formula of RefChem:76514 is C14H12N2O5S.
What is the molecular weight of RefChem:76514?
The molecular weight of RefChem:76514 is 320.05 g/mol.
Where can I buy RefChem:76514?
You can request a quote for RefChem:76514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76514?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.