EINECS 274-770-3
TL;DR: EINECS 274-770-3 (CAS 70693-54-8) is a chemical compound with molecular formula C54H86N6O7S2 and molecular weight 994.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2,7-disulfonic acid;bis(N-octyloctan-1-amine)
Also Known As: 3,6-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-(phenylazo)phenyl)azo)-, dioctylamine salt (1:2), 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4-(phenylazo)phenyl]azo]-, compd. with N-octyl-1-octanamine (1:2), 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((4-(phenylazo)phenyl)azo)-, compd. with N-octyl-1-octanamine (1:2), 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(4-(2-phenyldiazenyl)phenyl)diazenyl)-, compd. with N-octyl-1-octanamine (1:2), 3-Hydroxy-4-((4-(phenylazo)phenyl)azo)naphthalene-2,7-disulphonic acid, compound with dioctylamine (1:2)
| Molecular Formula | C54H86N6O7S2 |
|---|---|
| Molecular Weight | 994.60 g/mol |
| LogP | 16.4636 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 34 |
| Exact Mass | 994.5999 |
| Heavy Atoms | 69 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 70693-54-8 |
|---|---|
| SMILES | CCCCCCCCNCCCCCCCC.CCCCCCCCNCCCCCCCC.C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | AKLDUWOONYRUDP-UHFFFAOYSA-N |
Product Overview
EINECS 274-770-3 (CAS 70693-54-8), with molecular formula C54H86N6O7S2 and molecular weight 994.60 g/mol. IUPAC: 3-hydroxy-4-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-2,7-disulfonic acid;bis(N-octyloctan-1-amine).
Chemical Property Profile of EINECS 274-770-3
Property Insights of EINECS 274-770-3
The XLogP value of 16.4636 indicates that EINECS 274-770-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.0 Ų indicates high polarity, suggesting EINECS 274-770-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 274-770-3 has 5 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 274-770-3?
The CAS number of EINECS 274-770-3 is 70693-54-8.
What is the molecular formula of EINECS 274-770-3?
The molecular formula of EINECS 274-770-3 is C54H86N6O7S2.
What is the molecular weight of EINECS 274-770-3?
The molecular weight of EINECS 274-770-3 is 994.60 g/mol.
Where can I buy EINECS 274-770-3?
You can request a quote for EINECS 274-770-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-770-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-770-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.