EINECS 279-295-5
TL;DR: EINECS 279-295-5 (CAS 79817-64-4) is a chemical compound with molecular formula C29H22N4O5S and molecular weight 538.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(2-anilinonaphthalen-1-yl)diazenyl]-4-hydroxyphenyl]sulfonylamino]benzoic acid
Also Known As: EINECS 279-295-5, 2-[[[4-hydroxy-3-[[2-(phenylamino)-1-naphthyl]azo]phenyl]sulphonyl]amino]benzoic acid, 2-(((4-Hydroxy-3-((2-(phenylamino)-1-naphthyl)azo)phenyl)sulphonyl)amino)benzoic acid, 2-[[[4-Hydroxy-3-[[2-(phenylamino)-1-naphthyl]azo]phenyl]sulfonyl]amino]benzoic acid, 2-[[(3Z)-3-[(2-anilinonaphthalen-1-yl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]sulfonylamino]benzoic acid
| Molecular Formula | C29H22N4O5S |
|---|---|
| Molecular Weight | 538.13 g/mol |
| LogP | 7.2034 |
| Topological Polar Surface Area | 140.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1311 |
| Heavy Atoms | 39 |
| Complexity | 1823.115 |
Chemical Identifiers
| CAS Number | 79817-64-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)N=NC4=C(C=CC(=C4)S(=O)(=O)NC5=CC=CC=C5C(=O)O)O |
Product Overview
EINECS 279-295-5 (CAS 79817-64-4), with molecular formula C29H22N4O5S and molecular weight 538.13 g/mol. IUPAC: 2-[[3-[(2-anilinonaphthalen-1-yl)diazenyl]-4-hydroxyphenyl]sulfonylamino]benzoic acid.
Chemical Property Profile of EINECS 279-295-5
Property Insights of EINECS 279-295-5
The XLogP value of 7.2034 indicates that EINECS 279-295-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.45 Ų indicates high polarity, suggesting EINECS 279-295-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 279-295-5 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 279-295-5?
The CAS number of EINECS 279-295-5 is 79817-64-4.
What is the molecular formula of EINECS 279-295-5?
The molecular formula of EINECS 279-295-5 is C29H22N4O5S.
What is the molecular weight of EINECS 279-295-5?
The molecular weight of EINECS 279-295-5 is 538.13 g/mol.
Where can I buy EINECS 279-295-5?
You can request a quote for EINECS 279-295-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 279-295-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 279-295-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.