NCI60_013928
TL;DR: NCI60_013928 (CAS 146982-31-2) is a chemical compound with molecular formula C38H20Cl4F2O8S6 and molecular weight 973.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-[[2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid
Also Known As: NCI60_013928, 2,2'-{disulfanediylbis[{2-[5-(4-fluorophenyl)-3h-1,2-dithiol-3-ylidene]-1-oxoethane-2,1-diyl}(2,3-dichlorobenzene-4,1-diyl)oxy]}diacetic acid, 2-[4-[2-[[2-[4-(carboxymethyloxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid, Acetic acid, 2,2'-[dithiobis[[2-[5-(4-fluorophenyl)-3H-1,2-dithiol-3-ylidene]-1-oxo-2,1-ethanediyl](2,3-dichloro-4,1-phenylene)oxy]]bis-, Acetic acid, 2,2a(2)-[dithiobis[[2-[5-(4-fluorophenyl)-3H-1,2-dithiol-3-ylidene]-1-oxo-2,1-ethanediyl](2,3-dichloro-4,1-phenylene)oxy]]bis-
| Molecular Formula | C38H20Cl4F2O8S6 |
|---|---|
| Molecular Weight | 973.82 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Exact Mass | 973.82043 |
| Heavy Atoms | 58 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 146982-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)F)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)F |
| InChIKey | ALWDXTSKOJXXNH-UHFFFAOYSA-N |
Product Overview
NCI60_013928 (CAS 146982-31-2), with molecular formula C38H20Cl4F2O8S6 and molecular weight 973.82 g/mol. IUPAC: 2-[4-[2-[[2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid.
Chemical Property Profile of NCI60_013928
Property Insights of NCI60_013928
The XLogP value of 10.8 indicates that NCI60_013928 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting NCI60_013928 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_013928 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 NCI60_013928?
The CAS number of NCI60_013928 is 146982-31-2.
What is the molecular formula of NCI60_013928?
The molecular formula of NCI60_013928 is C38H20Cl4F2O8S6.
What is the molecular weight of NCI60_013928?
The molecular weight of NCI60_013928 is 973.82 g/mol.
Where can I buy NCI60_013928?
You can request a quote for NCI60_013928 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_013928?
Yes, KEHONG BIO provides custom synthesis services for NCI60_013928 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.