RefChem:1068803
TL;DR: RefChem:1068803 (CAS 101018-61-5) is a chemical compound with molecular formula C20H27Cl2N3O5S2 and molecular weight 523.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine diethanolamine, 3-Thiazolidineacetic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2,2'-iminobis(ethanol) (1:1), 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid,2-(2-hydroxyethylamino)ethanol, 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid; 2-(2-hydroxyethylamino)ethanol, RefChem:1068803
| Molecular Formula | C20H27Cl2N3O5S2 |
|---|---|
| Molecular Weight | 523.08 g/mol |
| LogP | 1.817 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 523.0769 |
| Heavy Atoms | 32 |
| Complexity | 771.00366 |
Chemical Identifiers
| CAS Number | 101018-61-5 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)N(CCCl)CCCl.C(CO)NCCO |
Product Overview
RefChem:1068803 (CAS 101018-61-5), with molecular formula C20H27Cl2N3O5S2 and molecular weight 523.08 g/mol. IUPAC: 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of RefChem:1068803
Property Insights of RefChem:1068803
The XLogP value of 1.817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068803. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068803. Following Lipinski's Rule of Five, RefChem:1068803 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1068803?
The CAS number of RefChem:1068803 is 101018-61-5.
What is the molecular formula of RefChem:1068803?
The molecular formula of RefChem:1068803 is C20H27Cl2N3O5S2.
What is the molecular weight of RefChem:1068803?
The molecular weight of RefChem:1068803 is 523.08 g/mol.
Where can I buy RefChem:1068803?
You can request a quote for RefChem:1068803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.