RefChem:446038
TL;DR: RefChem:446038 (CAS 71701-30-9) is a chemical compound with molecular formula C36H26N4Na2O10S3 and molecular weight 816.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 3-[[3,3'-dimethyl-4'-[[4-[(phenylsulfonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-((3,3'-dimethyl-4'-((4-((phenylsulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium salt, 2,7-Naphthalenedisulfonic acid, 3-(2-(3,3'-dimethyl-4'-(2-(4-((phenylsulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:2), 2,7-Naphthalenedisulfonic acid, 3-[2-[3,3'-dimethyl-4'-[2-[4-[(phenylsulfonyl)oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-4-hydroxy-, sodium salt (1:2), 3-[[3,3'-Dimethyl-4'-[[4-[ oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonicaciddisodiumsalt
| Molecular Formula | C36H26N4Na2O10S3 |
|---|---|
| Molecular Weight | 816.06 g/mol |
| LogP | 2.24 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 816.06067 |
| Heavy Atoms | 55 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 71701-30-9 |
|---|---|
| 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)OS(=O)(=O)C6=CC=CC=C6.[Na+].[Na+] |
| InChIKey | BCVVFDBXXWKNJU-UHFFFAOYSA-L |
Product Overview
RefChem:446038 (CAS 71701-30-9), with molecular formula C36H26N4Na2O10S3 and molecular weight 816.06 g/mol. IUPAC: disodium;3-[[4-[4-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446038
Property Insights of RefChem:446038
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:446038. The TPSA of 253.0 Ų indicates high polarity, suggesting RefChem:446038 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446038 has 1 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:446038?
The CAS number of RefChem:446038 is 71701-30-9.
What is the molecular formula of RefChem:446038?
The molecular formula of RefChem:446038 is C36H26N4Na2O10S3.
What is the molecular weight of RefChem:446038?
The molecular weight of RefChem:446038 is 816.06 g/mol.
Where can I buy RefChem:446038?
You can request a quote for RefChem:446038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446038?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.