RefChem:1068807
TL;DR: RefChem:1068807 (CAS 101018-63-7) is a chemical compound with molecular formula C21H29Br2N3O5S2 and molecular weight 624.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[[4-[bis(2-bromoethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: 3-Thiazolidinepropanoic acid, 5-((4-(bis(2-bromoethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2,2'-iminobis(ethanol) (1:1), 3-[(5E)-5-[[4-[bis(2-bromoethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid; 2-(2-hydroxyethylamino)ethanol, RefChem:1068807
| Molecular Formula | C21H29Br2N3O5S2 |
|---|---|
| Molecular Weight | 624.99 g/mol |
| LogP | 2.5193 |
| Topological Polar Surface Area | 113.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.9915 |
| Heavy Atoms | 33 |
| Complexity | 786.60974 |
Chemical Identifiers
| CAS Number | 101018-63-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)N(CCBr)CCBr.C(CO)NCCO |
Product Overview
RefChem:1068807 (CAS 101018-63-7), with molecular formula C21H29Br2N3O5S2 and molecular weight 624.99 g/mol. IUPAC: 3-[(5E)-5-[[4-[bis(2-bromoethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of RefChem:1068807
Property Insights of RefChem:1068807
The XLogP value of 2.5193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068807. The TPSA of 113.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068807. Following Lipinski's Rule of Five, RefChem:1068807 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:1068807?
The CAS number of RefChem:1068807 is 101018-63-7.
What is the molecular formula of RefChem:1068807?
The molecular formula of RefChem:1068807 is C21H29Br2N3O5S2.
What is the molecular weight of RefChem:1068807?
The molecular weight of RefChem:1068807 is 624.99 g/mol.
Where can I buy RefChem:1068807?
You can request a quote for RefChem:1068807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068807?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.