AB00111591-01
TL;DR: AB00111591-01 (CAS 383370-01-2) 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.
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: AB00111591-01, (Z)-4-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)butanamide, 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
| Molecular Formula | C20H21ClN4O2S3 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 5.0101 |
| Topological Polar Surface Area | 75.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.0515 |
| Heavy Atoms | 30 |
| Complexity | 989.93616 |
Chemical Identifiers
| CAS Number | 383370-01-2 |
|---|---|
| SMILES | CC(C)CC1=NN=C(S1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=CC=C3Cl)/SC2=S |
Product Overview
AB00111591-01 (CAS 383370-01-2), with molecular formula C20H21ClN4O2S3 and molecular weight 480.05 g/mol. IUPAC: 4-[(5Z)-5-[(2-chlorophenyl)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 AB00111591-01
Property Insights of AB00111591-01
The XLogP value of 5.0101 indicates that AB00111591-01 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 AB00111591-01. Following Lipinski's Rule of Five, AB00111591-01 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 AB00111591-01?
The CAS number of AB00111591-01 is 383370-01-2.
What is the molecular formula of AB00111591-01?
The molecular formula of AB00111591-01 is C20H21ClN4O2S3.
What is the molecular weight of AB00111591-01?
The molecular weight of AB00111591-01 is 480.05 g/mol.
Where can I buy AB00111591-01?
You can request a quote for AB00111591-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111591-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111591-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.