RefChem:299126
TL;DR: RefChem:299126 (CAS 53460-02-9) is a chemical compound with molecular formula C34H35ClN6O8S2 and molecular weight 754.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Also Known As: 5-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid, 2,7-Naphthalenedisulfonicacid,5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(2-phenyldiazenyl)-, 5-[[4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid, (3Z)-5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2,7-disulfonic acid, 5-((4-Chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-phenyldiazenyl)-2,7-naphthalenedisulfonic acid
| Molecular Formula | C34H35ClN6O8S2 |
|---|---|
| Molecular Weight | 754.16 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 754.1646 |
| Heavy Atoms | 51 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 53460-02-9 |
|---|---|
| SMILES | CCCCCCCCCC1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5)S(=O)(=O)O)Cl |
| InChIKey | BUMVIGLKISJXLT-UHFFFAOYSA-N |
Product Overview
RefChem:299126 (CAS 53460-02-9), with molecular formula C34H35ClN6O8S2 and molecular weight 754.16 g/mol. IUPAC: 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid.
Chemical Property Profile of RefChem:299126
Property Insights of RefChem:299126
The XLogP value of 10.0 indicates that RefChem:299126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:299126 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299126 has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299126?
The CAS number of RefChem:299126 is 53460-02-9.
What is the molecular formula of RefChem:299126?
The molecular formula of RefChem:299126 is C34H35ClN6O8S2.
What is the molecular weight of RefChem:299126?
The molecular weight of RefChem:299126 is 754.16 g/mol.
Where can I buy RefChem:299126?
You can request a quote for RefChem:299126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299126?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.