RefChem:1068804
TL;DR: RefChem:1068804 (CAS 101018-60-4) is a chemical compound with molecular formula C18H23Cl2N3O4S2 and molecular weight 479.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ethanolamine, 3-Thiazolidineacetic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2-aminoethanol (1:1), 2-aminoethanol; 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid, RefChem:1068804
| Molecular Formula | C18H23Cl2N3O4S2 |
|---|---|
| Molecular Weight | 479.05 g/mol |
| LogP | 2.1938 |
| Topological Polar Surface Area | 107.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 479.0507 |
| Heavy Atoms | 29 |
| Complexity | 724.32135 |
Chemical Identifiers
| CAS Number | 101018-60-4 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)N(CCCl)CCCl.C(CO)N |
Product Overview
RefChem:1068804 (CAS 101018-60-4), with molecular formula C18H23Cl2N3O4S2 and molecular weight 479.05 g/mol. IUPAC: 2-aminoethanol;2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:1068804
Property Insights of RefChem:1068804
The XLogP value of 2.1938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068804. The TPSA of 107.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068804. Following Lipinski's Rule of Five, RefChem:1068804 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1068804?
The CAS number of RefChem:1068804 is 101018-60-4.
What is the molecular formula of RefChem:1068804?
The molecular formula of RefChem:1068804 is C18H23Cl2N3O4S2.
What is the molecular weight of RefChem:1068804?
The molecular weight of RefChem:1068804 is 479.05 g/mol.
Where can I buy RefChem:1068804?
You can request a quote for RefChem:1068804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068804?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.