RefChem:72860
TL;DR: RefChem:72860 (CAS 68155-62-4) is a chemical compound with molecular formula C22H13ClF2N6Na2O7S2 and molecular weight 655.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-[[2-acetamido-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: 1,3-Naphthalenedisulfonic acid, 7-(2-(2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)diazenyl)-, sodium salt (1:2), 7-(((2-Acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-1,3-naphthalenedisulfonic acid, disodium salt, Disodium 7-[[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]naphthalene-1,3-disulphonate, 1,3-Naphthalenedisulfonic acid, 7-((2-(acetylamino)-4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)azo)-, disodium salt, 1,3-Naphthalenedisulfonic acid, 7-[[2-(acetylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]-, disodium salt
| Molecular Formula | C22H13ClF2N6Na2O7S2 |
|---|---|
| Molecular Weight | 655.97 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 655.97394 |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 68155-62-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PJFSGBWVNVLHPM-UHFFFAOYSA-L |
Product Overview
RefChem:72860 (CAS 68155-62-4), with molecular formula C22H13ClF2N6Na2O7S2 and molecular weight 655.97 g/mol. IUPAC: disodium;7-[[2-acetamido-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:72860
Property Insights of RefChem:72860
The XLogP value of -1.5 indicates that RefChem:72860 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:72860 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72860 has 2 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:72860?
The CAS number of RefChem:72860 is 68155-62-4.
What is the molecular formula of RefChem:72860?
The molecular formula of RefChem:72860 is C22H13ClF2N6Na2O7S2.
What is the molecular weight of RefChem:72860?
The molecular weight of RefChem:72860 is 655.97 g/mol.
Where can I buy RefChem:72860?
You can request a quote for RefChem:72860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.