EINECS 287-903-5
TL;DR: EINECS 287-903-5 (CAS 85605-12-5) is a chemical compound with molecular formula C16H11CaClN4O7S2 and molecular weight 509.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
Also Known As: EINECS 287-903-5, Calcium 2-chloro-5-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate, Acetamide,N-[2-[2-(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)-5-[(1-methylpropyl)amino]phenyl], Benzenesulfonic acid,2-chloro-5-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-,calcium salt (1:1), calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
| Molecular Formula | C16H11CaClN4O7S2 |
|---|---|
| Molecular Weight | 509.94 g/mol |
| LogP | 1.6424 |
| Topological Polar Surface Area | 171.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.93835 |
| Heavy Atoms | 31 |
| Complexity | 1312.9971 |
Chemical Identifiers
| CAS Number | 85605-12-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Ca+2] |
Product Overview
EINECS 287-903-5 (CAS 85605-12-5), with molecular formula C16H11CaClN4O7S2 and molecular weight 509.94 g/mol. IUPAC: calcium 2-chloro-5-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate.
Chemical Property Profile of EINECS 287-903-5
Property Insights of EINECS 287-903-5
The XLogP value of 1.6424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 287-903-5. The TPSA of 171.79 Ų indicates high polarity, suggesting EINECS 287-903-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-903-5 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-903-5?
The CAS number of EINECS 287-903-5 is 85605-12-5.
What is the molecular formula of EINECS 287-903-5?
The molecular formula of EINECS 287-903-5 is C16H11CaClN4O7S2.
What is the molecular weight of EINECS 287-903-5?
The molecular weight of EINECS 287-903-5 is 509.94 g/mol.
Where can I buy EINECS 287-903-5?
You can request a quote for EINECS 287-903-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-903-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-903-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.