RefChem:1068801
TL;DR: RefChem:1068801 (CAS 101018-66-0) is a chemical compound with molecular formula C15H18ClN3O3S2 and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium 2-[(5E)-5-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: 3-Thiazolidineacetic acid, 5-((4-((2-chloroethyl)methylamino)phenyl)methylene)-4-oxo-2-thioxo-, ammonium salt, 3-Thiazolidineacetic acid,5-((4-((2-chloroethyl)methylamino)phenyl)methylene)-4-oxo-2-thioxo-,ammonium salt, azanium 2-[(5E)-5-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, azanium,2-[(5E)-5-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate, RefChem:1068801
| Molecular Formula | C15H18ClN3O3S2 |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 1.6889 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.04782 |
| Heavy Atoms | 24 |
| Complexity | 664.43304 |
Chemical Identifiers
| CAS Number | 101018-66-0 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)[O-].[NH4+] |
Product Overview
RefChem:1068801 (CAS 101018-66-0), with molecular formula C15H18ClN3O3S2 and molecular weight 387.05 g/mol. IUPAC: azanium 2-[(5E)-5-[[4-[2-chloroethyl(methyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of RefChem:1068801
Property Insights of RefChem:1068801
The XLogP value of 1.6889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1068801. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068801. Following Lipinski's Rule of Five, RefChem:1068801 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:1068801?
The CAS number of RefChem:1068801 is 101018-66-0.
What is the molecular formula of RefChem:1068801?
The molecular formula of RefChem:1068801 is C15H18ClN3O3S2.
What is the molecular weight of RefChem:1068801?
The molecular weight of RefChem:1068801 is 387.05 g/mol.
Where can I buy RefChem:1068801?
You can request a quote for RefChem:1068801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1068801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1068801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.