BAS 00751730
TL;DR: BAS 00751730 (CAS 5723-55-7) is a chemical compound with molecular formula C13H8F3NO3S2 and molecular weight 346.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00751730, AB00094690-01, {4-oxo-2-thioxo-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetic acid, A1711/0072922, (E)-2-(4-oxo-2-thioxo-5-(3-(trifluoromethyl)benzylidene)thiazolidin-3-yl)acetic acid
| Molecular Formula | C13H8F3NO3S2 |
|---|---|
| Molecular Weight | 346.99 g/mol |
| LogP | 2.9912 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.98978 |
| Heavy Atoms | 22 |
| Complexity | 685.353 |
Chemical Identifiers
| CAS Number | 5723-55-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
BAS 00751730 (CAS 5723-55-7), with molecular formula C13H8F3NO3S2 and molecular weight 346.99 g/mol. IUPAC: 2-[(5E)-4-oxo-2-sulfanylidene-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00751730
Property Insights of BAS 00751730
The XLogP value of 2.9912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00751730. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00751730 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00751730 has 1 hydrogen bond donor(s) and 4 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 00751730?
The CAS number of BAS 00751730 is 5723-55-7.
What is the molecular formula of BAS 00751730?
The molecular formula of BAS 00751730 is C13H8F3NO3S2.
What is the molecular weight of BAS 00751730?
The molecular weight of BAS 00751730 is 346.99 g/mol.
Where can I buy BAS 00751730?
You can request a quote for BAS 00751730 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00751730?
Yes, KEHONG BIO provides custom synthesis services for BAS 00751730 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.