RefChem:1065424
TL;DR: RefChem:1065424 (CAS 62883-67-4) is a chemical compound with molecular formula C21H20N2O5S3 and molecular weight 476.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid
Also Known As: NK 1901, 3(2H)-Benzothiazolepropanoic acid, 2-(4-(3-(2-carboxyethyl)-4-oxo-2-thioxo-5-thiazolidinylidene)-2-butenylidene)-6-methyl-, 3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid
| Molecular Formula | C21H20N2O5S3 |
|---|---|
| Molecular Weight | 476.05 g/mol |
| LogP | 3.99832 |
| Topological Polar Surface Area | 98.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.05344 |
| Heavy Atoms | 31 |
| Complexity | 1031.8416 |
Chemical Identifiers
| CAS Number | 62883-67-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(/C(=C\C=C\C=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/S2)CCC(=O)O |
Product Overview
RefChem:1065424 (CAS 62883-67-4), with molecular formula C21H20N2O5S3 and molecular weight 476.05 g/mol. IUPAC: 3-[(2E)-2-[(E,4Z)-4-[3-(2-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]but-2-enylidene]-6-methyl-1,3-benzothiazol-3-yl]propanoic acid.
Chemical Property Profile of RefChem:1065424
Property Insights of RefChem:1065424
The XLogP value of 3.99832 indicates that RefChem:1065424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065424. Following Lipinski's Rule of Five, RefChem:1065424 has 2 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:1065424?
The CAS number of RefChem:1065424 is 62883-67-4.
What is the molecular formula of RefChem:1065424?
The molecular formula of RefChem:1065424 is C21H20N2O5S3.
What is the molecular weight of RefChem:1065424?
The molecular weight of RefChem:1065424 is 476.05 g/mol.
Where can I buy RefChem:1065424?
You can request a quote for RefChem:1065424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065424?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.