RefChem:83518
TL;DR: RefChem:83518 (CAS 72139-13-0) is a chemical compound with molecular formula C27H13ClF2N6Na4O14S4 and molecular weight 937.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-3-((2,5-disulfophenyl)azo)-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-3-(2-(2,5-disulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonic acid, 5-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-3-[(2,5-disulfophenyl)azo]-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-3-[2-(2,5-disulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonicacid,5-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-3-[2-(2,5-disulfophenyl)diazenyl]-4-hydroxy-,sodium salt (1:4)
| Molecular Formula | C27H13ClF2N6Na4O14S4 |
|---|---|
| Molecular Weight | 937.86 g/mol |
| LogP | -8.6893 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 937.862 |
| Heavy Atoms | 58 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 72139-13-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | XKEOGYCKCCFQLK-UHFFFAOYSA-J |
Product Overview
RefChem:83518 (CAS 72139-13-0), with molecular formula C27H13ClF2N6Na4O14S4 and molecular weight 937.86 g/mol. IUPAC: tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83518
Property Insights of RefChem:83518
The XLogP value of -8.6893 indicates that RefChem:83518 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting RefChem:83518 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83518 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83518?
The CAS number of RefChem:83518 is 72139-13-0.
What is the molecular formula of RefChem:83518?
The molecular formula of RefChem:83518 is C27H13ClF2N6Na4O14S4.
What is the molecular weight of RefChem:83518?
The molecular weight of RefChem:83518 is 937.86 g/mol.
Where can I buy RefChem:83518?
You can request a quote for RefChem:83518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83518?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.