ChemDiv1_010351
TL;DR: ChemDiv1_010351 (CAS 430450-71-8) is a chemical compound with molecular formula C21H24N4O3S3 and molecular weight 476.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: ChemDiv1_010351, 4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-[(5Z)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-{5-[(3-methoxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-[5-( 2-methylpropyl)(1,3,4-thiadiazol-2-yl)]butanamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-[5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C21H24N4O3S3 |
|---|---|
| Molecular Weight | 476.10 g/mol |
| LogP | 4.3653 |
| Topological Polar Surface Area | 84.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.10104 |
| Heavy Atoms | 31 |
| Complexity | 1003.2611 |
Chemical Identifiers
| CAS Number | 430450-71-8 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)CCCN2C(=O)/C(=C/C3=CC(=CC=C3)OC)/SC2=S |
Product Overview
ChemDiv1_010351 (CAS 430450-71-8), with molecular formula C21H24N4O3S3 and molecular weight 476.10 g/mol. IUPAC: 4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of ChemDiv1_010351
Property Insights of ChemDiv1_010351
The XLogP value of 4.3653 indicates that ChemDiv1_010351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010351. Following Lipinski's Rule of Five, ChemDiv1_010351 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_010351?
The CAS number of ChemDiv1_010351 is 430450-71-8.
What is the molecular formula of ChemDiv1_010351?
The molecular formula of ChemDiv1_010351 is C21H24N4O3S3.
What is the molecular weight of ChemDiv1_010351?
The molecular weight of ChemDiv1_010351 is 476.10 g/mol.
Where can I buy ChemDiv1_010351?
You can request a quote for ChemDiv1_010351 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010351?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.