5Ph-1,2-dithiole di-S analog
TL;DR: 5Ph-1,2-dithiole di-S analog (CAS 6714-29-0) is a chemical compound with molecular formula C38H20Cl6O8S6 and molecular weight 1005.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-chlorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-chlorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid
Also Known As: 5Ph-1,2-dithiole di-S analog, 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(4-chlorophenyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(4-chlorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid, 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethyloxy)-2,3-dichlorophenyl]-1-[5-(4-chlorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-chlorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid, Bis[2,3-dichloro-[1-oxo[-5-(4-chlorophenyl)-1,2-dithiol-3-ylidene]-2-ethyl]-4-phenoxyacetic acid] disulfide
| Molecular Formula | C38H20Cl6O8S6 |
|---|---|
| Molecular Weight | 1005.76 g/mol |
| LogP | 14.2762 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 1005.76135 |
| Heavy Atoms | 58 |
| Complexity | 2301.2285 |
Chemical Identifiers
| CAS Number | 6714-29-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C/C(=C(\SS/C(=C\3/SSC(=C3)C4=CC=C(C=C4)Cl)/C(=O)C5=C(C(=C(C=C5)OCC(=O)O)Cl)Cl)/C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)/SS2)Cl |
Product Overview
5Ph-1,2-dithiole di-S analog (CAS 6714-29-0), with molecular formula C38H20Cl6O8S6 and molecular weight 1005.76 g/mol. IUPAC: 2-[4-[(2E)-2-[[(1E)-2-[4-(carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-chlorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-chlorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid.
Chemical Property Profile of 5Ph-1,2-dithiole di-S analog
Property Insights of 5Ph-1,2-dithiole di-S analog
The XLogP value of 14.2762 indicates that 5Ph-1,2-dithiole di-S analog is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5Ph-1,2-dithiole di-S analog. Following Lipinski's Rule of Five, 5Ph-1,2-dithiole di-S analog has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5Ph-1,2-dithiole di-S analog?
The CAS number of 5Ph-1,2-dithiole di-S analog is 6714-29-0.
What is the molecular formula of 5Ph-1,2-dithiole di-S analog?
The molecular formula of 5Ph-1,2-dithiole di-S analog is C38H20Cl6O8S6.
What is the molecular weight of 5Ph-1,2-dithiole di-S analog?
The molecular weight of 5Ph-1,2-dithiole di-S analog is 1005.76 g/mol.
Where can I buy 5Ph-1,2-dithiole di-S analog?
You can request a quote for 5Ph-1,2-dithiole di-S analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5Ph-1,2-dithiole di-S analog?
Yes, KEHONG BIO provides custom synthesis services for 5Ph-1,2-dithiole di-S analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.