RefChem:85449
TL;DR: RefChem:85449 (CAS 94308-67-5) is a chemical compound with molecular formula C25H14ClF2N5Na2O8S2 and molecular weight 694.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-amino-4-[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: 1-Amino-4-((3-((5-chloro-2,4-difluoro-6-pyrimidyl)amino)-2-methyl-5-sulfophenyl)amino)-2-sulfoanthraquinone, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:2), 2-Anthracenesulfonic acid, 1-amino-4-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt, 2-Anthracenesulfonic acid, 1-amino-4-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methyl-5-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)
| Molecular Formula | C25H14ClF2N5Na2O8S2 |
|---|---|
| Molecular Weight | 694.97 g/mol |
| LogP | -2.62238 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 694.9736 |
| Heavy Atoms | 45 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 94308-67-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)[O-])NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | ZNJIJUTZYLARBY-UHFFFAOYSA-L |
Product Overview
RefChem:85449 (CAS 94308-67-5), with molecular formula C25H14ClF2N5Na2O8S2 and molecular weight 694.97 g/mol. IUPAC: disodium;1-amino-4-[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of RefChem:85449
Property Insights of RefChem:85449
The XLogP value of -2.62238 indicates that RefChem:85449 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 241.0 Ų indicates high polarity, suggesting RefChem:85449 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:85449 has 3 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:85449?
The CAS number of RefChem:85449 is 94308-67-5.
What is the molecular formula of RefChem:85449?
The molecular formula of RefChem:85449 is C25H14ClF2N5Na2O8S2.
What is the molecular weight of RefChem:85449?
The molecular weight of RefChem:85449 is 694.97 g/mol.
Where can I buy RefChem:85449?
You can request a quote for RefChem:85449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:85449?
Yes, KEHONG BIO provides custom synthesis services for RefChem:85449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.