EINECS 265-597-4
TL;DR: EINECS 265-597-4 (CAS 65180-69-0) is a chemical compound with molecular formula C16H13N5O9S2 and molecular weight 483.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-2-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
Also Known As: EINECS 265-597-4, 1-(4-Amino-2-sulphophenyl)-4,5-dihydro-5-oxo-4-((2-sulphophenyl)azo)-1H-pyrazole-3-carboxylic acid, 1-4,5-dihydro-5-oxo-4-[azo]-1h-pyrazole-3-carboxylicacid, 1- -4,5-dihydro-5-oxo-4-[ azo]-1H-pyrazole-3-carboxylicacid, 1-(4-amino-2-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
| Molecular Formula | C16H13N5O9S2 |
|---|---|
| Molecular Weight | 483.02 g/mol |
| LogP | 0.7019 |
| Topological Polar Surface Area | 229.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.01547 |
| Heavy Atoms | 32 |
| Complexity | 1400.7278 |
Chemical Identifiers
| CAS Number | 65180-69-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)N)S(=O)(=O)O)C(=O)O)S(=O)(=O)O |
Product Overview
EINECS 265-597-4 (CAS 65180-69-0), with molecular formula C16H13N5O9S2 and molecular weight 483.02 g/mol. IUPAC: 1-(4-amino-2-sulfophenyl)-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of EINECS 265-597-4
Property Insights of EINECS 265-597-4
The XLogP value of 0.7019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 265-597-4. The TPSA of 229.45 Ų indicates high polarity, suggesting EINECS 265-597-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 265-597-4 has 4 hydrogen bond donor(s) and 10 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 265-597-4?
The CAS number of EINECS 265-597-4 is 65180-69-0.
What is the molecular formula of EINECS 265-597-4?
The molecular formula of EINECS 265-597-4 is C16H13N5O9S2.
What is the molecular weight of EINECS 265-597-4?
The molecular weight of EINECS 265-597-4 is 483.02 g/mol.
Where can I buy EINECS 265-597-4?
You can request a quote for EINECS 265-597-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 265-597-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 265-597-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.