RefChem:95463
TL;DR: RefChem:95463 (CAS 68758-84-9) is a chemical compound with molecular formula C20H29N3O2S3 and molecular weight 439.14 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)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: Triethylammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-2-thioxothiazolidine-3-acetate, 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-2-thioxo-, compd. with N,N-diethylethanamine (1:1), EINECS 272-159-6, RefChem:95463
| Molecular Formula | C20H29N3O2S3 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 4.55 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.14218 |
| Heavy Atoms | 28 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 68758-84-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=C3CN(C(=S)S3)CC(=O)O.CCN(CC)CC |
| InChIKey | BKUNFOIECQMVFV-UHFFFAOYSA-N |
Product Overview
RefChem:95463 (CAS 68758-84-9), with molecular formula C20H29N3O2S3 and molecular weight 439.14 g/mol. IUPAC: N,N-diethylethanamine;2-[5-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:95463
Property Insights of RefChem:95463
The XLogP value of 4.55 indicates that RefChem:95463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:95463. Following Lipinski's Rule of Five, RefChem:95463 has 1 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:95463?
The CAS number of RefChem:95463 is 68758-84-9.
What is the molecular formula of RefChem:95463?
The molecular formula of RefChem:95463 is C20H29N3O2S3.
What is the molecular weight of RefChem:95463?
The molecular weight of RefChem:95463 is 439.14 g/mol.
Where can I buy RefChem:95463?
You can request a quote for RefChem:95463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:95463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:95463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.