EINECS 287-119-3
TL;DR: EINECS 287-119-3 (CAS 85409-50-3) is a chemical compound with molecular formula C23H19N3O6S2 and molecular weight 497.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: EINECS 287-119-3, 4-Hydroxy-3-((2-methyl-5-((phenylamino)sulphonyl)phenyl)azo)naphthalene-2-sulphonic acid, 4-HYDROXY-3-[[2-METHYL-5-[(PHENYLAMINO)SULFONYL]PHENYL]AZO]NAPHTHALENE-2-SULFONIC ACID, 4-hydroxy-3-[[2-methyl-5-[ sulphonyl]phenyl]azo]naphthalene-2-sulphonicacid, 4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid
| Molecular Formula | C23H19N3O6S2 |
|---|---|
| Molecular Weight | 497.07 g/mol |
| LogP | 5.31672 |
| Topological Polar Surface Area | 145.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.07153 |
| Heavy Atoms | 34 |
| Complexity | 1634.6371 |
Chemical Identifiers
| CAS Number | 85409-50-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)N=NC3=C(C4=CC=CC=C4C=C3S(=O)(=O)O)O |
Product Overview
EINECS 287-119-3 (CAS 85409-50-3), with molecular formula C23H19N3O6S2 and molecular weight 497.07 g/mol. IUPAC: 4-hydroxy-3-[[2-methyl-5-(phenylsulfamoyl)phenyl]diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of EINECS 287-119-3
Property Insights of EINECS 287-119-3
The XLogP value of 5.31672 indicates that EINECS 287-119-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.49 Ų indicates high polarity, suggesting EINECS 287-119-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-119-3 has 3 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 287-119-3?
The CAS number of EINECS 287-119-3 is 85409-50-3.
What is the molecular formula of EINECS 287-119-3?
The molecular formula of EINECS 287-119-3 is C23H19N3O6S2.
What is the molecular weight of EINECS 287-119-3?
The molecular weight of EINECS 287-119-3 is 497.07 g/mol.
Where can I buy EINECS 287-119-3?
You can request a quote for EINECS 287-119-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-119-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-119-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.