AB00129061-02
TL;DR: AB00129061-02 (CAS 306323-24-0) is a chemical compound with molecular formula C20H21ClN4O2S3 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: AB00129061-02, N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, (Z)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(5-(4-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(5-butyl(1,3,4-thiadiazol-2-yl))-4-{5-[(4-chlorophenyl)methylene]-4-oxo-2-th ioxo(1,3-thiazolidin-3-yl)}butanamide
| Molecular Formula | C20H21ClN4O2S3 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 5.1542 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.0515 |
| Heavy Atoms | 30 |
| Complexity | 959.2161 |
Chemical Identifiers
| CAS Number | 306323-24-0 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/SC2=S |
Product Overview
AB00129061-02 (CAS 306323-24-0), with molecular formula C20H21ClN4O2S3 and molecular weight 480.05 g/mol. IUPAC: N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of AB00129061-02
Property Insights of AB00129061-02
The XLogP value of 5.1542 indicates that AB00129061-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00129061-02. Following Lipinski's Rule of Five, AB00129061-02 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00129061-02?
The CAS number of AB00129061-02 is 306323-24-0.
What is the molecular formula of AB00129061-02?
The molecular formula of AB00129061-02 is C20H21ClN4O2S3.
What is the molecular weight of AB00129061-02?
The molecular weight of AB00129061-02 is 480.05 g/mol.
Where can I buy AB00129061-02?
You can request a quote for AB00129061-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00129061-02?
Yes, KEHONG BIO provides custom synthesis services for AB00129061-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.