RefChem:505429
TL;DR: RefChem:505429 (CAS 63815-90-7) is a chemical compound with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 4-oxo-5-((3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-2-thioxo-, 3-Thiazolidineacetic acid, 4-oxo-5-(2-(3-(phenylmethyl)-2(3H)-benzoxazolylidene)ethylidene)-2-thioxo-, 3-Thiazolidineacetic acid, 4-oxo-5-[[3-(phenylmethyl)-2(3H)-benzoxazolylidene]ethylidene]-2-thioxo-, 5-[(3-benzylbenzoxazol-2(3H)-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid, 2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C21H16N2O4S2 |
|---|---|
| Molecular Weight | 424.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.05515 |
| Heavy Atoms | 29 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 63815-90-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3OC2=CC=C4C(=O)N(C(=S)S4)CC(=O)O |
| InChIKey | DQAIDCLYYZYFRB-UHFFFAOYSA-N |
Product Overview
RefChem:505429 (CAS 63815-90-7), with molecular formula C21H16N2O4S2 and molecular weight 424.06 g/mol. IUPAC: 2-[5-[2-(3-benzyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:505429
Property Insights of RefChem:505429
The XLogP value of 4.4 indicates that RefChem:505429 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505429. Following Lipinski's Rule of Five, RefChem:505429 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:505429?
The CAS number of RefChem:505429 is 63815-90-7.
What is the molecular formula of RefChem:505429?
The molecular formula of RefChem:505429 is C21H16N2O4S2.
What is the molecular weight of RefChem:505429?
The molecular weight of RefChem:505429 is 424.06 g/mol.
Where can I buy RefChem:505429?
You can request a quote for RefChem:505429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.