AB00112442-01
TL;DR: AB00112442-01 (CAS 383370-83-0) is a chemical compound with molecular formula C20H22N4O2S3 and molecular weight 446.09 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)-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
Also Known As: AB00112442-01, (Z)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide, N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide, N-[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide
| Molecular Formula | C20H22N4O2S3 |
|---|---|
| Molecular Weight | 446.09 g/mol |
| LogP | 4.41912 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.09048 |
| Heavy Atoms | 29 |
| Complexity | 937.4579 |
Chemical Identifiers
| CAS Number | 383370-83-0 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)CCN2C(=O)/C(=C/C3=CC=C(C=C3)C)/SC2=S |
Product Overview
AB00112442-01 (CAS 383370-83-0), with molecular formula C20H22N4O2S3 and molecular weight 446.09 g/mol. IUPAC: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide.
Chemical Property Profile of AB00112442-01
Property Insights of AB00112442-01
The XLogP value of 4.41912 indicates that AB00112442-01 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 AB00112442-01. Following Lipinski's Rule of Five, AB00112442-01 has 1 hydrogen bond donor(s) and 7 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 AB00112442-01?
The CAS number of AB00112442-01 is 383370-83-0.
What is the molecular formula of AB00112442-01?
The molecular formula of AB00112442-01 is C20H22N4O2S3.
What is the molecular weight of AB00112442-01?
The molecular weight of AB00112442-01 is 446.09 g/mol.
Where can I buy AB00112442-01?
You can request a quote for AB00112442-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00112442-01?
Yes, KEHONG BIO provides custom synthesis services for AB00112442-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.