RefChem:446296
TL;DR: RefChem:446296 (CAS 83399-98-8) is a chemical compound with molecular formula C27H14ClF2N6Na3O11S3 and molecular weight 835.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3), 5-4-(5-chloro-2,6-difluoro-4-pyrimidinyl)aminobenzoylamino-4-hydroxy-3-(2-sulphonatophenyl)azonaphthalene-2,7-disu lphonate (sodium salt), 2,7-Naphthalenedisulfonic acid, 5-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, sodium salt
| Molecular Formula | C27H14ClF2N6Na3O11S3 |
|---|---|
| Molecular Weight | 835.92 g/mol |
| LogP | -4.5974 |
| Topological Polar Surface Area | 309.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 835.9232 |
| Heavy Atoms | 53 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 83399-98-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)NC5=C(C(=NC(=N5)F)F)Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DTJYROFTDDFIPE-UHFFFAOYSA-K |
Product Overview
RefChem:446296 (CAS 83399-98-8), with molecular formula C27H14ClF2N6Na3O11S3 and molecular weight 835.92 g/mol. IUPAC: trisodium;5-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446296
Property Insights of RefChem:446296
The XLogP value of -4.5974 indicates that RefChem:446296 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.0 Ų indicates high polarity, suggesting RefChem:446296 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446296 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446296?
The CAS number of RefChem:446296 is 83399-98-8.
What is the molecular formula of RefChem:446296?
The molecular formula of RefChem:446296 is C27H14ClF2N6Na3O11S3.
What is the molecular weight of RefChem:446296?
The molecular weight of RefChem:446296 is 835.92 g/mol.
Where can I buy RefChem:446296?
You can request a quote for RefChem:446296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.