EINECS 276-996-8
TL;DR: EINECS 276-996-8 (CAS 72906-32-2) is a chemical compound with molecular formula C51H70N10O22S3 and molecular weight 1270.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Also Known As: Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, compd. with 2,2'-iminobis[ethanol] (1:4), 2-(2-Hydroxyethylamino)ethanol;4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid, 4-({1-Hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)benzoic acid--2,2'-azanediyldi(ethan-1-ol) (1/4), 4-(1-Hydroxy-6-((5-hydroxy-6-(2-methyl-4-sulfophenylazo)-7-sulfo-2-naphthalenyl)aminocarbonylamino)-3-sulfo-2-naphthalenylazo)benzoic acid, diethanolamine salt (1:4), Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-((2-methyl-4-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, compd. with 2,2'-iminobis(ethanol) (1:4)
| Molecular Formula | C51H70N10O22S3 |
|---|---|
| Molecular Weight | 1270.38 g/mol |
| LogP | 1.86812 |
| Topological Polar Surface Area | 567.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 26 |
| Exact Mass | 1270.3828 |
| Heavy Atoms | 86 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 72906-32-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=C(C=C6)C(=O)O)S(=O)(=O)O)S(=O)(=O)O.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO.C(CO)NCCO |
| InChIKey | HEABHVOKOJQEKZ-UHFFFAOYSA-N |
Product Overview
EINECS 276-996-8 (CAS 72906-32-2), with molecular formula C51H70N10O22S3 and molecular weight 1270.38 g/mol. IUPAC: tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid.
Chemical Property Profile of EINECS 276-996-8
Property Insights of EINECS 276-996-8
The XLogP value of 1.86812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 276-996-8. The TPSA of 567.0 Ų indicates high polarity, suggesting EINECS 276-996-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 276-996-8 has 20 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 276-996-8?
The CAS number of EINECS 276-996-8 is 72906-32-2.
What is the molecular formula of EINECS 276-996-8?
The molecular formula of EINECS 276-996-8 is C51H70N10O22S3.
What is the molecular weight of EINECS 276-996-8?
The molecular weight of EINECS 276-996-8 is 1270.38 g/mol.
Where can I buy EINECS 276-996-8?
You can request a quote for EINECS 276-996-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-996-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-996-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.