AB00114403-01
TL;DR: AB00114403-01 (CAS 381681-69-2) is a chemical compound with molecular formula C20H12F3N3O3S2 and molecular weight 463.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00114403-01, 2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide, (Z)-2-(2-oxo-3-(4-oxo-2-thioxothiazolidin-5-ylidene)indolin-1-yl)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-2,3-dihydro-1H-indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C20H12F3N3O3S2 |
|---|---|
| Molecular Weight | 463.03 g/mol |
| LogP | 3.5497 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.02722 |
| Heavy Atoms | 31 |
| Complexity | 1177.5002 |
Chemical Identifiers
| CAS Number | 381681-69-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)NC(=S)S3)/C(=O)N2CC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
AB00114403-01 (CAS 381681-69-2), with molecular formula C20H12F3N3O3S2 and molecular weight 463.03 g/mol. IUPAC: 2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00114403-01
Property Insights of AB00114403-01
The XLogP value of 3.5497 indicates that AB00114403-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114403-01. Following Lipinski's Rule of Five, AB00114403-01 has 2 hydrogen bond donor(s) and 5 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 AB00114403-01?
The CAS number of AB00114403-01 is 381681-69-2.
What is the molecular formula of AB00114403-01?
The molecular formula of AB00114403-01 is C20H12F3N3O3S2.
What is the molecular weight of AB00114403-01?
The molecular weight of AB00114403-01 is 463.03 g/mol.
Where can I buy AB00114403-01?
You can request a quote for AB00114403-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114403-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114403-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.