RefChem:83451
TL;DR: RefChem:83451 (CAS 70210-05-8) is a chemical compound with molecular formula C37H29N3Na2O11S3 and molecular weight 833.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[2,4-bis(2-methylphenoxy)phenyl]diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 3-(2-(2,4-bis(2-methylphenoxy)phenyl)diazenyl)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-, sodium salt (1:2), 2,7-Naphthalenedisulfonic acid, 3-((2,4-bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((4-methylphenyl)sulfonyl)amino)-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-[2-[2,4-bis(2-methylphenoxy)phenyl]diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2), 3-2,4-Bis(2-Methylphenoxy)PhenylAzo-4-Hydroxy-5-(P-Tolyl)SulphonylAminoNaphthalene-2,7-Disulphonate (sodium salt)
| Molecular Formula | C37H29N3Na2O11S3 |
|---|---|
| Molecular Weight | 833.08 g/mol |
| LogP | 2.08766 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 833.076 |
| Heavy Atoms | 56 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 70210-05-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=C(C=C(C=C4)OC5=CC=CC=C5C)OC6=CC=CC=C6C)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PDIPEOFKXSOHMI-UHFFFAOYSA-L |
Product Overview
RefChem:83451 (CAS 70210-05-8), with molecular formula C37H29N3Na2O11S3 and molecular weight 833.08 g/mol. IUPAC: disodium;3-[[2,4-bis(2-methylphenoxy)phenyl]diazenyl]-4-hydroxy-5-[(4-methylphenyl)sulfonylamino]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83451
Property Insights of RefChem:83451
The XLogP value of 2.08766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:83451. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:83451 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83451 has 2 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:83451?
The CAS number of RefChem:83451 is 70210-05-8.
What is the molecular formula of RefChem:83451?
The molecular formula of RefChem:83451 is C37H29N3Na2O11S3.
What is the molecular weight of RefChem:83451?
The molecular weight of RefChem:83451 is 833.08 g/mol.
Where can I buy RefChem:83451?
You can request a quote for RefChem:83451 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83451?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83451 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.