BAS 00872023
TL;DR: BAS 00872023 (CAS 301688-59-5) is a chemical compound with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: BAS 00872023, (E)-6-(5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[(5E)-5-(3,4-dihydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-{5-[(3,4-DIHYDROXYPHENYL)METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLAN-3-YL}HEXANOIC ACID
| Molecular Formula | C16H17NO5S2 |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 2.944 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.0548 |
| Heavy Atoms | 24 |
| Complexity | 701.70825 |
Chemical Identifiers
| CAS Number | 301688-59-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O)O)O |
Product Overview
BAS 00872023 (CAS 301688-59-5), with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol. IUPAC: 6-[(5E)-5-[(3,4-dihydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of BAS 00872023
Property Insights of BAS 00872023
The XLogP value of 2.944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00872023. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00872023. Following Lipinski's Rule of Five, BAS 00872023 has 3 hydrogen bond donor(s) and 6 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 BAS 00872023?
The CAS number of BAS 00872023 is 301688-59-5.
What is the molecular formula of BAS 00872023?
The molecular formula of BAS 00872023 is C16H17NO5S2.
What is the molecular weight of BAS 00872023?
The molecular weight of BAS 00872023 is 367.05 g/mol.
Where can I buy BAS 00872023?
You can request a quote for BAS 00872023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872023?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.