RefChem:299351
TL;DR: RefChem:299351 (CAS 68133-61-9) is a chemical compound with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 3-Thiazolidineacetic acid, 5-[(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-, 3-Carboxymethyl-5-((3-ethyl-5,6-dimethyl-2-benzoxazolinylidene)ethylidene)rhodanine, 3-Thiazolidineacetic acid, 5-((3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-, 3-Thiazolidineacetic acid, 5-(2-(3-ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-, 5-(2-(3-Ethyl-5,6-dimethyl-2(3H)-benzoxazolylidene)ethylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid
| Molecular Formula | C18H18N2O4S2 |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.0708 |
| Heavy Atoms | 26 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 68133-61-9 |
|---|---|
| SMILES | CCN1C2=C(C=C(C(=C2)C)C)OC1=CC=C3C(=O)N(C(=S)S3)CC(=O)O |
| InChIKey | RFQLJIPQTMAKQX-UHFFFAOYSA-N |
Product Overview
RefChem:299351 (CAS 68133-61-9), with molecular formula C18H18N2O4S2 and molecular weight 390.07 g/mol. IUPAC: 2-[5-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of RefChem:299351
Property Insights of RefChem:299351
The XLogP value of 4.0 indicates that RefChem:299351 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:299351. Following Lipinski's Rule of Five, RefChem:299351 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:299351?
The CAS number of RefChem:299351 is 68133-61-9.
What is the molecular formula of RefChem:299351?
The molecular formula of RefChem:299351 is C18H18N2O4S2.
What is the molecular weight of RefChem:299351?
The molecular weight of RefChem:299351 is 390.07 g/mol.
Where can I buy RefChem:299351?
You can request a quote for RefChem:299351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:299351?
Yes, KEHONG BIO provides custom synthesis services for RefChem:299351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.