C17H11NO3S2
TL;DR: C17H11NO3S2 (CAS 862827-52-9) is a chemical compound with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: IFLab1_001689, 3-[(5E)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 3-[(5E)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoicacid, 3-[(5E)-5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid, 3-[4-oxo-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C17H11NO3S2 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 3.7906 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.01804 |
| Heavy Atoms | 23 |
| Complexity | 830.74194 |
Chemical Identifiers
| CAS Number | 862827-52-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O |
Product Overview
C17H11NO3S2 (CAS 862827-52-9), with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol. IUPAC: 3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of C17H11NO3S2
Property Insights of C17H11NO3S2
The XLogP value of 3.7906 indicates that C17H11NO3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, C17H11NO3S2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H11NO3S2 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 C17H11NO3S2?
The CAS number of C17H11NO3S2 is 862827-52-9.
What is the molecular formula of C17H11NO3S2?
The molecular formula of C17H11NO3S2 is C17H11NO3S2.
What is the molecular weight of C17H11NO3S2?
The molecular weight of C17H11NO3S2 is 341.02 g/mol.
Where can I buy C17H11NO3S2?
You can request a quote for C17H11NO3S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H11NO3S2?
Yes, KEHONG BIO provides custom synthesis services for C17H11NO3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.