BAS 00872043
TL;DR: BAS 00872043 (CAS 301688-72-2) is a chemical compound with molecular formula C17H19NO6S2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00872043, 4-{4-OXO-2-SULFANYLIDENE-5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLIDIN-3-YL}BUTANOIC ACID, 4-[4-OXO-2-THIOXO-5-(3,4,5-TRIMETHOXY-BENZYLIDENE)-THIAZOLIDIN-3-YL]-BUTY+, 4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5E)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C17H19NO6S2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 2.7784 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.06537 |
| Heavy Atoms | 26 |
| Complexity | 736.6152 |
Chemical Identifiers
| CAS Number | 301688-72-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
BAS 00872043 (CAS 301688-72-2), with molecular formula C17H19NO6S2 and molecular weight 397.07 g/mol. IUPAC: 4-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 00872043
Property Insights of BAS 00872043
The XLogP value of 2.7784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00872043. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00872043. Following Lipinski's Rule of Five, BAS 00872043 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 BAS 00872043?
The CAS number of BAS 00872043 is 301688-72-2.
What is the molecular formula of BAS 00872043?
The molecular formula of BAS 00872043 is C17H19NO6S2.
What is the molecular weight of BAS 00872043?
The molecular weight of BAS 00872043 is 397.07 g/mol.
Where can I buy BAS 00872043?
You can request a quote for BAS 00872043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00872043?
Yes, KEHONG BIO provides custom synthesis services for BAS 00872043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.