AB00114239-01
TL;DR: AB00114239-01 (CAS 381176-30-3) is a chemical compound with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide
Also Known As: AB00114239-01, 2-[(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide, 2-{(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}-N-phenylacetamide, (Z)-2-(3-(3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)-2-oxoindolin-1-yl)-N-phenylacetamide
| Molecular Formula | C22H19N3O4S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 2.8897 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.0817 |
| Heavy Atoms | 31 |
| Complexity | 1100.9447 |
Chemical Identifiers
| CAS Number | 381176-30-3 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4)/SC1=S |
Product Overview
AB00114239-01 (CAS 381176-30-3), with molecular formula C22H19N3O4S2 and molecular weight 453.08 g/mol. IUPAC: 2-[(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-phenylacetamide.
Chemical Property Profile of AB00114239-01
Property Insights of AB00114239-01
The XLogP value of 2.8897 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00114239-01. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114239-01. Following Lipinski's Rule of Five, AB00114239-01 has 1 hydrogen bond donor(s) and 6 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 AB00114239-01?
The CAS number of AB00114239-01 is 381176-30-3.
What is the molecular formula of AB00114239-01?
The molecular formula of AB00114239-01 is C22H19N3O4S2.
What is the molecular weight of AB00114239-01?
The molecular weight of AB00114239-01 is 453.08 g/mol.
Where can I buy AB00114239-01?
You can request a quote for AB00114239-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114239-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114239-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.