EINECS 281-809-8
TL;DR: EINECS 281-809-8 (CAS 84030-36-4) is a chemical compound with molecular formula C20H16N4O10S3 and molecular weight 568.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: 3-((4,5-Dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl)azo)naphthalene-1,5-disulphonic acid, 3-{(e)-[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}naphthalene-1,5-disulfonic acid, 3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid, 3-[[4,5-dihydro-3-methyl-5-oxo-1- -1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonicacid, 1,5-Naphthalenedisulfonicacid,3-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-
| Molecular Formula | C20H16N4O10S3 |
|---|---|
| Molecular Weight | 568.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 568.00287 |
| Heavy Atoms | 37 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 84030-36-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O |
| InChIKey | FXOBXXVFZKDNDD-UHFFFAOYSA-N |
Product Overview
EINECS 281-809-8 (CAS 84030-36-4), with molecular formula C20H16N4O10S3 and molecular weight 568.00 g/mol. IUPAC: 3-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of EINECS 281-809-8
Property Insights of EINECS 281-809-8
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 281-809-8. The TPSA of 246.0 Ų indicates high polarity, suggesting EINECS 281-809-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 281-809-8 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 281-809-8?
The CAS number of EINECS 281-809-8 is 84030-36-4.
What is the molecular formula of EINECS 281-809-8?
The molecular formula of EINECS 281-809-8 is C20H16N4O10S3.
What is the molecular weight of EINECS 281-809-8?
The molecular weight of EINECS 281-809-8 is 568.00 g/mol.
Where can I buy EINECS 281-809-8?
You can request a quote for EINECS 281-809-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 281-809-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 281-809-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.