RefChem:95464
TL;DR: RefChem:95464 (CAS 68239-70-3) is a chemical compound with molecular formula C20H27N3O3S3 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-, compd. with N,N-diethylethanamine (1:1), Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate, N,N-diethylethanamine; 2-[(5Z)-5-(3-ethylbenzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-thiazolidin-3-yl]acetic acid, EINECS 269-463-6, RefChem:95464
| Molecular Formula | C20H27N3O3S3 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 4.08 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.12146 |
| Heavy Atoms | 29 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 68239-70-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=C3C(=O)N(C(=S)S3)CC(=O)O.CCN(CC)CC |
| InChIKey | HQFWNSHRGDOPHQ-UHFFFAOYSA-N |
Product Overview
RefChem:95464 (CAS 68239-70-3), with molecular formula C20H27N3O3S3 and molecular weight 453.12 g/mol. IUPAC: N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:95464
Property Insights of RefChem:95464
The XLogP value of 4.08 indicates that RefChem:95464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting RefChem:95464 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:95464 has 1 hydrogen bond donor(s) and 8 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:95464?
The CAS number of RefChem:95464 is 68239-70-3.
What is the molecular formula of RefChem:95464?
The molecular formula of RefChem:95464 is C20H27N3O3S3.
What is the molecular weight of RefChem:95464?
The molecular weight of RefChem:95464 is 453.12 g/mol.
Where can I buy RefChem:95464?
You can request a quote for RefChem:95464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95464?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.