RefChem:446344
TL;DR: RefChem:446344 (CAS 83400-18-4) is a chemical compound with molecular formula C22H14ClFN5Na3O10S3 and molecular weight 726.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((4-methyl-2-sulfophenyl)azo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)azo]-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:?), 5-((5-Chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-4-hydroxy-3-((4-methyl-2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, sodium salt, 5-[ amino]-4-hydroxy-3-[ azo]naphthalene-2,7-disulphonicacid,sodiumsalt
| Molecular Formula | C22H14ClFN5Na3O10S3 |
|---|---|
| Molecular Weight | 726.93 g/mol |
| LogP | -5.37196 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 726.9268 |
| Heavy Atoms | 45 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 83400-18-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=C4Cl)C)F)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | HMNAHJKUGGTTLV-UHFFFAOYSA-K |
Product Overview
RefChem:446344 (CAS 83400-18-4), with molecular formula C22H14ClFN5Na3O10S3 and molecular weight 726.93 g/mol. IUPAC: trisodium;5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446344
Property Insights of RefChem:446344
The XLogP value of -5.37196 indicates that RefChem:446344 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting RefChem:446344 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446344 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446344?
The CAS number of RefChem:446344 is 83400-18-4.
What is the molecular formula of RefChem:446344?
The molecular formula of RefChem:446344 is C22H14ClFN5Na3O10S3.
What is the molecular weight of RefChem:446344?
The molecular weight of RefChem:446344 is 726.93 g/mol.
Where can I buy RefChem:446344?
You can request a quote for RefChem:446344 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446344?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446344 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.