RefChem:219349
TL;DR: RefChem:219349 (CAS 6949-09-3) is a chemical compound with molecular formula C31H24N6Na2O7S2 and molecular weight 702.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: 1,3-Naphthalenedisulfonic acid, 7-((4-((4-((4-aminobenzoyl)amino)-2-methylphenyl)azo)-2-methylphenyl)azo)-, disodium salt, disodium 7-[(e)-{4-[(e)-{4-[(4-aminobenzoyl)amino]-2-methylphenyl}diazenyl]-2-methylphenyl}diazenyl]naphthalene-1,3-disulfonate, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(4-((4-aminobenzoyl)amino)-2-methylphenyl)diazenyl)-2-methylphenyl)diazenyl)-, sodium salt (1:2), 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]-, sodium salt (1:2), 1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]azo]-2-methylphenyl]azo]-, disodium salt
| Molecular Formula | C31H24N6Na2O7S2 |
|---|---|
| Molecular Weight | 702.09 g/mol |
| LogP | 0.94 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 702.0943 |
| Heavy Atoms | 48 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 6949-09-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | BPNXJFXLNOABBB-UHFFFAOYSA-L |
Product Overview
RefChem:219349 (CAS 6949-09-3), with molecular formula C31H24N6Na2O7S2 and molecular weight 702.09 g/mol. IUPAC: disodium;7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:219349
Property Insights of RefChem:219349
The XLogP value of 0.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219349. The TPSA of 236.0 Ų indicates high polarity, suggesting RefChem:219349 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:219349 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:219349?
The CAS number of RefChem:219349 is 6949-09-3.
What is the molecular formula of RefChem:219349?
The molecular formula of RefChem:219349 is C31H24N6Na2O7S2.
What is the molecular weight of RefChem:219349?
The molecular weight of RefChem:219349 is 702.09 g/mol.
Where can I buy RefChem:219349?
You can request a quote for RefChem:219349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:219349?
Yes, KEHONG BIO provides custom synthesis services for RefChem:219349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.