EINECS 266-660-9
TL;DR: EINECS 266-660-9 (CAS 67355-35-5) is a chemical compound with molecular formula C17H12CaN4O6S and molecular weight 440.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate
Also Known As: EINECS 266-660-9, Calcium 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoate, Calcium 2-((3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoate, calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate, Calcium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfonatophenyl)-1H-pyrazol-4-yl]azo]benzoate
| Molecular Formula | C17H12CaN4O6S |
|---|---|
| Molecular Weight | 440.01 g/mol |
| LogP | 0.4484 |
| Topological Polar Surface Area | 154.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.01035 |
| Heavy Atoms | 29 |
| Complexity | 1114.9979 |
Chemical Identifiers
| CAS Number | 67355-35-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Ca+2] |
Product Overview
EINECS 266-660-9 (CAS 67355-35-5), with molecular formula C17H12CaN4O6S and molecular weight 440.01 g/mol. IUPAC: calcium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzoate.
Chemical Property Profile of EINECS 266-660-9
Property Insights of EINECS 266-660-9
The XLogP value of 0.4484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 266-660-9. The TPSA of 154.72 Ų indicates high polarity, suggesting EINECS 266-660-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 266-660-9 has 0 hydrogen bond donor(s) and 9 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 266-660-9?
The CAS number of EINECS 266-660-9 is 67355-35-5.
What is the molecular formula of EINECS 266-660-9?
The molecular formula of EINECS 266-660-9 is C17H12CaN4O6S.
What is the molecular weight of EINECS 266-660-9?
The molecular weight of EINECS 266-660-9 is 440.01 g/mol.
Where can I buy EINECS 266-660-9?
You can request a quote for EINECS 266-660-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 266-660-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 266-660-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.