A0384/0017631
TL;DR: A0384/0017631 (CAS 86128-57-6) is a chemical compound with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-nitrophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: A0384/0017631, 5-(4-nitrobenzylidene)-3-(piperidin-1-ylmethyl)-2-thioxo-1,3, 5-[(4-nitrophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H17N3O3S2 |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.2394 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.07114 |
| Heavy Atoms | 24 |
| Complexity | 697.0241 |
Chemical Identifiers
| CAS Number | 86128-57-6 |
|---|---|
| SMILES | C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])SC2=S |
Product Overview
A0384/0017631 (CAS 86128-57-6), with molecular formula C16H17N3O3S2 and molecular weight 363.07 g/mol. IUPAC: 5-[(4-nitrophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of A0384/0017631
Property Insights of A0384/0017631
The XLogP value of 3.2394 indicates that A0384/0017631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for A0384/0017631. Following Lipinski's Rule of Five, A0384/0017631 has 0 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 A0384/0017631?
The CAS number of A0384/0017631 is 86128-57-6.
What is the molecular formula of A0384/0017631?
The molecular formula of A0384/0017631 is C16H17N3O3S2.
What is the molecular weight of A0384/0017631?
The molecular weight of A0384/0017631 is 363.07 g/mol.
Where can I buy A0384/0017631?
You can request a quote for A0384/0017631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0384/0017631?
Yes, KEHONG BIO provides custom synthesis services for A0384/0017631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.