EINECS 285-793-3
TL;DR: EINECS 285-793-3 (CAS 85136-68-1) 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.
4-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-2-sulfonic acid
Also Known As: EINECS 285-793-3, 7-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxynaphthalene-2-sulphonic acid, 4-Hydroxy-7-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-2-sulfonic acid, 4-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-2-sulfonic acid, 7-[(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol)-1-yl]-4-hydroxy-2-naphthalenesulfonic acid
| Molecular Formula | C14H12N2O5S |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 1.9047 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.0467 |
| Heavy Atoms | 22 |
| Complexity | 933.6439 |
Chemical Identifiers
| CAS Number | 85136-68-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O |
Product Overview
EINECS 285-793-3 (CAS 85136-68-1), with molecular formula C14H12N2O5S and molecular weight 320.05 g/mol. IUPAC: 4-hydroxy-7-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-2-sulfonic acid.
Chemical Property Profile of EINECS 285-793-3
Property Insights of EINECS 285-793-3
The XLogP value of 1.9047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 285-793-3. The TPSA of 107.27 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 285-793-3. Following Lipinski's Rule of Five, EINECS 285-793-3 has 2 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 EINECS 285-793-3?
The CAS number of EINECS 285-793-3 is 85136-68-1.
What is the molecular formula of EINECS 285-793-3?
The molecular formula of EINECS 285-793-3 is C14H12N2O5S.
What is the molecular weight of EINECS 285-793-3?
The molecular weight of EINECS 285-793-3 is 320.05 g/mol.
Where can I buy EINECS 285-793-3?
You can request a quote for EINECS 285-793-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 285-793-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 285-793-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.