RefChem:83515
TL;DR: RefChem:83515 (CAS 68109-58-0) is a chemical compound with molecular formula C30H22N4Na2O8S2 and molecular weight 676.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-((4'-((4-hydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-, disodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-(2-(4'-(2-(4-hydroxyphenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-, sodium salt (1:2), 3-((4'-(4-Hydroxyphenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-2,7-naphthalenedisulfonic acid, disodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-, disodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[2-[4'-[2-(4-hydroxyphenyl)diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-, sodium salt (1:2)
| Molecular Formula | C30H22N4Na2O8S2 |
|---|---|
| Molecular Weight | 676.07 g/mol |
| LogP | 1.18184 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 676.06744 |
| Heavy Atoms | 46 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 68109-58-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC=C(C=C5)O.[Na+].[Na+] |
| InChIKey | OFKCIIAGMLXFAK-UHFFFAOYSA-L |
Product Overview
RefChem:83515 (CAS 68109-58-0), with molecular formula C30H22N4Na2O8S2 and molecular weight 676.07 g/mol. IUPAC: disodium;4-hydroxy-3-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83515
Property Insights of RefChem:83515
The XLogP value of 1.18184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:83515. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:83515 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83515 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83515?
The CAS number of RefChem:83515 is 68109-58-0.
What is the molecular formula of RefChem:83515?
The molecular formula of RefChem:83515 is C30H22N4Na2O8S2.
What is the molecular weight of RefChem:83515?
The molecular weight of RefChem:83515 is 676.07 g/mol.
Where can I buy RefChem:83515?
You can request a quote for RefChem:83515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83515?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.