1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
TL;DR: 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (CAS 7277-87-4) is a chemical compound with molecular formula C14H12N2O7S2 and molecular weight 384.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
Also Known As: Amino J pyrazolone, Amino-J-pyrazolone, ChemDiv1_017456, 6-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)naphthalene-1,3-disulfonic acid, 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
| Molecular Formula | C14H12N2O7S2 |
|---|---|
| Molecular Weight | 384.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0086 |
| Heavy Atoms | 25 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 7277-87-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FDUGPNDWCQRTAP-UHFFFAOYSA-N |
Product Overview
1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- (CAS 7277-87-4), with molecular formula C14H12N2O7S2 and molecular weight 384.01 g/mol. IUPAC: 6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid.
Chemical Property Profile of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Property Insights of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-. The TPSA of 158.0 Ų indicates high polarity, suggesting 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- has 2 hydrogen bond donor(s) and 8 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 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The CAS number of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is 7277-87-4.
What is the molecular formula of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular formula of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is C14H12N2O7S2.
What is the molecular weight of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular weight of 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- is 384.01 g/mol.
Where can I buy 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
You can request a quote for 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.