AB00102577-01
TL;DR: AB00102577-01 (CAS 314252-11-4) is a chemical compound with molecular formula C17H17BrN2O2S2 and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00102577-01, (5Z)-5-(3-bromobenzylidene)-3-[2-oxo-2-(piperidin-1-yl)ethyl]-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-(3-bromobenzylidene)-3-(2-oxo-2-(piperidin-1-yl)ethyl)-2-thioxothiazolidin-4-one, 5-[(3-bromophenyl)methylene]-3-(2-oxo-2-piperidylethyl)-2-thioxo-1,3-thiazolid in-4-one, (5Z)-5-[(3-bromophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H17BrN2O2S2 |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 3.6628 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.9915 |
| Heavy Atoms | 24 |
| Complexity | 714.297 |
Chemical Identifiers
| CAS Number | 314252-11-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S |
Product Overview
AB00102577-01 (CAS 314252-11-4), with molecular formula C17H17BrN2O2S2 and molecular weight 423.99 g/mol. IUPAC: (5Z)-5-[(3-bromophenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of AB00102577-01
Property Insights of AB00102577-01
The XLogP value of 3.6628 indicates that AB00102577-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, AB00102577-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00102577-01 has 0 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 AB00102577-01?
The CAS number of AB00102577-01 is 314252-11-4.
What is the molecular formula of AB00102577-01?
The molecular formula of AB00102577-01 is C17H17BrN2O2S2.
What is the molecular weight of AB00102577-01?
The molecular weight of AB00102577-01 is 423.99 g/mol.
Where can I buy AB00102577-01?
You can request a quote for AB00102577-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00102577-01?
Yes, KEHONG BIO provides custom synthesis services for AB00102577-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.