RefChem:299631
TL;DR: RefChem:299631 (CAS 33006-80-3) is a chemical compound with molecular formula C21H17N3O6S4 and molecular weight 535.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-((3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-(3-(carboxymethyl)-5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-, 5-(3-(Carboxymethyl)-5-(2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene)-4-oxo-2-thiazolidinylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[(3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid
| Molecular Formula | C21H17N3O6S4 |
|---|---|
| Molecular Weight | 535.00 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.0 |
| Heavy Atoms | 34 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 33006-80-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N(C(=C4C(=O)N(C(=S)S4)CC(=O)O)S3)CC(=O)O |
| InChIKey | OIVXXGLSVHGVOJ-UHFFFAOYSA-N |
Product Overview
RefChem:299631 (CAS 33006-80-3), with molecular formula C21H17N3O6S4 and molecular weight 535.00 g/mol. IUPAC: 2-[2-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:299631
Property Insights of RefChem:299631
The XLogP value of 3.5 indicates that RefChem:299631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting RefChem:299631 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:299631 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:299631?
The CAS number of RefChem:299631 is 33006-80-3.
What is the molecular formula of RefChem:299631?
The molecular formula of RefChem:299631 is C21H17N3O6S4.
What is the molecular weight of RefChem:299631?
The molecular weight of RefChem:299631 is 535.00 g/mol.
Where can I buy RefChem:299631?
You can request a quote for RefChem:299631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.