RefChem:1068802
TL;DR: RefChem:1068802 (CAS 101018-65-9) is a chemical compound with molecular formula C16H19Cl2N3O3S2 and molecular weight 435.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: 3-(Carboxymethyl)-5-(p-di(2-chloroethyl)aminobenzylidene)rhodanine ammonium salt, 3-Thiazolidineacetic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt, azanium 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, RefChem:1068802
| Molecular Formula | C16H19Cl2N3O3S2 |
|---|---|
| Molecular Weight | 435.02 g/mol |
| LogP | 2.2979 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.02448 |
| Heavy Atoms | 26 |
| Complexity | 692.4853 |
Chemical Identifiers
| CAS Number | 101018-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-])N(CCCl)CCCl.[NH4+] |
Product Overview
RefChem:1068802 (CAS 101018-65-9), with molecular formula C16H19Cl2N3O3S2 and molecular weight 435.02 g/mol. IUPAC: azanium 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of RefChem:1068802
Property Insights of RefChem:1068802
The XLogP value of 2.2979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068802. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068802. Following Lipinski's Rule of Five, RefChem:1068802 has 1 hydrogen bond donor(s) and 6 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:1068802?
The CAS number of RefChem:1068802 is 101018-65-9.
What is the molecular formula of RefChem:1068802?
The molecular formula of RefChem:1068802 is C16H19Cl2N3O3S2.
What is the molecular weight of RefChem:1068802?
The molecular weight of RefChem:1068802 is 435.02 g/mol.
Where can I buy RefChem:1068802?
You can request a quote for RefChem:1068802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068802?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.