RefChem:446283
TL;DR: RefChem:446283 (CAS 70210-01-4) is a chemical compound with molecular formula C29H18Br2N5Na3O13S3 and molecular weight 966.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[3-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((3-((2-bromo-1-oxo-2-propenyl)amino)benzoyl)amino)-3-((5-((2-bromo-1-oxo-2-propenyl)amino)-2-sulfophenyl)azo)-4-hydroxy-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[3-[(2-bromo-1-oxo-2-propenyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, trisodium salt, TRISODIUM 5-[[3-[(2-BROMO-1-OXOALLYL)AMINO]BENZOYL]AMINO]-3-[[5-[(2-BROMO-1-OXOALLYL)AMINO]-2-SULPHONATOPHENYL]AZO]-4-HYDROXYNAPHTHALENE-2,7-DISULPHONATE, 2,7-Naphthalenedisulfonic acid, 5-((3-((2-bromo-1-oxo-2-propen-1-yl)amino)benzoyl)amino)-3-(2-(5-((2-bromo-1-oxo-2-propen-1-yl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:3), 2,7-Naphthalenedisulfonic acid, 5-[[3-[(2-bromo-1-oxo-2-propen-1-yl)amino]benzoyl]amino]-3-[2-[5-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)
| Molecular Formula | C29H18Br2N5Na3O13S3 |
|---|---|
| Molecular Weight | 966.81 g/mol |
| LogP | -4.3684 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 966.8123 |
| Heavy Atoms | 55 |
| Complexity | 1740.0 |
Chemical Identifiers
| CAS Number | 70210-01-4 |
|---|---|
| SMILES | C=C(C(=O)NC1=CC(=C(C=C1)S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC(=CC=C4)NC(=O)C(=C)Br)O)Br.[Na+].[Na+].[Na+] |
| InChIKey | GPTGXGSVAYWNAM-UHFFFAOYSA-K |
Product Overview
RefChem:446283 (CAS 70210-01-4), with molecular formula C29H18Br2N5Na3O13S3 and molecular weight 966.81 g/mol. IUPAC: trisodium;5-[[3-(2-bromoprop-2-enoylamino)benzoyl]amino]-3-[[5-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446283
Property Insights of RefChem:446283
The XLogP value of -4.3684 indicates that RefChem:446283 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting RefChem:446283 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446283 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446283?
The CAS number of RefChem:446283 is 70210-01-4.
What is the molecular formula of RefChem:446283?
The molecular formula of RefChem:446283 is C29H18Br2N5Na3O13S3.
What is the molecular weight of RefChem:446283?
The molecular weight of RefChem:446283 is 966.81 g/mol.
Where can I buy RefChem:446283?
You can request a quote for RefChem:446283 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446283?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446283 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.