RefChem:119183
TL;DR: RefChem:119183 (CAS 68957-40-4) is a chemical compound with molecular formula C27H16ClF2N5Na2O7S and molecular weight 673.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-N-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoate
Also Known As: disodium 3-[{4-[(4-amino-9,10-dioxo-3-sulfonato-9,10-dihydroanthracen-1-yl)amino]phenyl}(5-chloro-2,6-difluoropyrimidin-4-yl)amino]propanoate, .beta.-Alanine, N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2), beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, disodium salt, beta-Alanine, N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-, sodium salt (1:2), Disodium N-(4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino)phenyl)-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-beta-alaninate
| Molecular Formula | C27H16ClF2N5Na2O7S |
|---|---|
| Molecular Weight | 673.02 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 673.0222 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 68957-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N(CCC(=O)[O-])C5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)[O-])N.[Na+].[Na+] |
| InChIKey | IBGZZMMADFIRMG-UHFFFAOYSA-L |
Product Overview
RefChem:119183 (CAS 68957-40-4), with molecular formula C27H16ClF2N5Na2O7S and molecular weight 673.02 g/mol. IUPAC: disodium;3-[4-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-N-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoate.
Chemical Property Profile of RefChem:119183
Property Insights of RefChem:119183
The XLogP value of -3.3 indicates that RefChem:119183 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting RefChem:119183 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:119183 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:119183?
The CAS number of RefChem:119183 is 68957-40-4.
What is the molecular formula of RefChem:119183?
The molecular formula of RefChem:119183 is C27H16ClF2N5Na2O7S.
What is the molecular weight of RefChem:119183?
The molecular weight of RefChem:119183 is 673.02 g/mol.
Where can I buy RefChem:119183?
You can request a quote for RefChem:119183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:119183?
Yes, KEHONG BIO provides custom synthesis services for RefChem:119183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.