EINECS 274-947-5
TL;DR: EINECS 274-947-5 (CAS 70862-30-5) is a chemical compound with molecular formula C11H11N3O6S and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: EINECS 274-947-5, 1-(5-Amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, 1-(5-Amino-2-methyl-3-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 1-(5-amino-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-, 1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
| Molecular Formula | C11H11N3O6S |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 0.00122 |
| Topological Polar Surface Area | 150.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.03687 |
| Heavy Atoms | 21 |
| Complexity | 783.39343 |
Chemical Identifiers
| CAS Number | 70862-30-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1S(=O)(=O)O)N)N2C(=O)CC(=N2)C(=O)O |
Product Overview
EINECS 274-947-5 (CAS 70862-30-5), with molecular formula C11H11N3O6S and molecular weight 313.04 g/mol. IUPAC: 1-(5-amino-2-methyl-3-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of EINECS 274-947-5
Property Insights of EINECS 274-947-5
The XLogP value of 0.00122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 274-947-5. The TPSA of 150.36 Ų indicates high polarity, suggesting EINECS 274-947-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-947-5 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 274-947-5?
The CAS number of EINECS 274-947-5 is 70862-30-5.
What is the molecular formula of EINECS 274-947-5?
The molecular formula of EINECS 274-947-5 is C11H11N3O6S.
What is the molecular weight of EINECS 274-947-5?
The molecular weight of EINECS 274-947-5 is 313.04 g/mol.
Where can I buy EINECS 274-947-5?
You can request a quote for EINECS 274-947-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-947-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-947-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.