RefChem:1068807
TL;DR: RefChem:1068807 (CAS 101018-63-7) is a chemical compound with molecular formula C21H29Br2N3O5S2 and molecular weight 624.9915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C21H29Br2N3O5S2 |
| Molecular Weight | 624.9915 g/mol |
| XLogP | 2.5193 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.9915 Da |
| Heavy Atoms | 33 |
| Complexity | 589.0 |
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)N(CCBr)CCBr.C(CO)NCCO |
| InChIKey | UOBCOTLVEXLSBU-JHGYPSGKSA-N |
Product Description
Applications: RefChem:1068807 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
RefChem:1068807 (CAS 101018-63-7) is a fine chemical with the molecular formula C21H29Br2N3O5S2 and a molecular weight of 624.99 g/mol. Synonyms include 3-Thiazolidinepropanoic acid, 5-((4-(bis(2-bromoethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2,2'-iminobis(ethanol) (1:1) and 3-[(5E)-5-[[4-[bis(2-bromoethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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 171.0 Ų indicates high polarity, suggesting RefChem:1068807 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1068807 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 624.9915 g/mol.
What are the applications of RefChem:1068807?
RefChem:1068807 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy RefChem:1068807?
You can request a quote for RefChem:1068807 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068807?
Yes, CoreyChem provides custom synthesis services for RefChem:1068807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.