RefChem:465260
TL;DR: RefChem:465260 (CAS 68413-53-6) is a chemical compound with molecular formula C26H18ClF2N5O8S2 and molecular weight 665.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[2-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-4-methyl-6-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: 2-Anthracenesulfonic acid, 1-amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, 1-Amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid, 2-Anthracenesulfonic acid, 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, 1-amino-4-[(2-{[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl}-4-methyl-6-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, 1-Amino-4-[[2-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]methyl]-4-methyl-6-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
| Molecular Formula | C26H18ClF2N5O8S2 |
|---|---|
| Molecular Weight | 665.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 665.0253 |
| Heavy Atoms | 44 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 68413-53-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CNC5=C(C(=NC(=N5)F)F)Cl |
| InChIKey | JMKBMSGQZSPJOC-UHFFFAOYSA-N |
Product Overview
RefChem:465260 (CAS 68413-53-6), with molecular formula C26H18ClF2N5O8S2 and molecular weight 665.03 g/mol. IUPAC: 1-amino-4-[2-[[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]methyl]-4-methyl-6-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of RefChem:465260
Property Insights of RefChem:465260
The XLogP value of 4.3 indicates that RefChem:465260 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting RefChem:465260 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:465260 has 5 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:465260?
The CAS number of RefChem:465260 is 68413-53-6.
What is the molecular formula of RefChem:465260?
The molecular formula of RefChem:465260 is C26H18ClF2N5O8S2.
What is the molecular weight of RefChem:465260?
The molecular weight of RefChem:465260 is 665.03 g/mol.
Where can I buy RefChem:465260?
You can request a quote for RefChem:465260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:465260?
Yes, KEHONG BIO provides custom synthesis services for RefChem:465260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.