AB00116160-01
TL;DR: AB00116160-01 (CAS 380889-80-5) is a chemical compound with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
Also Known As: AB00116160-01, ethyl 4-({[(3Z)-3-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate, ethyl 4-[[2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate, (Z)-ethyl 4-(2-(3-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)acetamido)benzoate
| Molecular Formula | C24H21N3O5S2 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 3.4399 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.09225 |
| Heavy Atoms | 34 |
| Complexity | 1239.4244 |
Chemical Identifiers
| CAS Number | 380889-80-5 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)/SC1=S |
Product Overview
AB00116160-01 (CAS 380889-80-5), with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol. IUPAC: ethyl 4-[[2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of AB00116160-01
Property Insights of AB00116160-01
The XLogP value of 3.4399 indicates that AB00116160-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116160-01. Following Lipinski's Rule of Five, AB00116160-01 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 AB00116160-01?
The CAS number of AB00116160-01 is 380889-80-5.
What is the molecular formula of AB00116160-01?
The molecular formula of AB00116160-01 is C24H21N3O5S2.
What is the molecular weight of AB00116160-01?
The molecular weight of AB00116160-01 is 495.09 g/mol.
Where can I buy AB00116160-01?
You can request a quote for AB00116160-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116160-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116160-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.