RefChem:310067
TL;DR: RefChem:310067 (CAS 76213-76-8) is a chemical compound with molecular formula C20H14Cl2N8O10S3 and molecular weight 691.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
Also Known As: C.I.Reactiv Orange 86, C.I.Reactive Orange 86, 7-((2-((Aminocarbonyl)amino)-4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)phenyl)azo)naphthalene-1,3,6-trisulphonic acid, 7-[(e)-{2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]naphthalene-1,3,6-trisulfonic acid, 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-
| Molecular Formula | C20H14Cl2N8O10S3 |
|---|---|
| Molecular Weight | 691.94 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 319.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 691.9372 |
| Heavy Atoms | 43 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 76213-76-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)Cl)Cl)NC(=O)N)N=NC3=CC4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | JGHYLRKFEBSKQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:310067 (CAS 76213-76-8), with molecular formula C20H14Cl2N8O10S3 and molecular weight 691.94 g/mol. IUPAC: 7-[[2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid.
Chemical Property Profile of RefChem:310067
Property Insights of RefChem:310067
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:310067. The TPSA of 319.0 Ų indicates high polarity, suggesting RefChem:310067 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:310067 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:310067?
The CAS number of RefChem:310067 is 76213-76-8.
What is the molecular formula of RefChem:310067?
The molecular formula of RefChem:310067 is C20H14Cl2N8O10S3.
What is the molecular weight of RefChem:310067?
The molecular weight of RefChem:310067 is 691.94 g/mol.
Where can I buy RefChem:310067?
You can request a quote for RefChem:310067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:310067?
Yes, KEHONG BIO provides custom synthesis services for RefChem:310067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.