AB00113738-01
TL;DR: AB00113738-01 (CAS 381681-77-2) is a chemical compound with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Also Known As: AB00113738-01, N-(3-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide, (Z)-2-(2-oxo-3-(4-oxo-2-thioxothiazolidin-5-ylidene)indolin-1-yl)-N-(m-tolyl)acetamide, N-(3-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanyl-1,3-thiazol-5(4H)-ylidene)-2,3-dihydro-1H-indol-1-yl]acetamide, N-(3-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetamide
| Molecular Formula | C20H15N3O3S2 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 2.83932 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.05548 |
| Heavy Atoms | 28 |
| Complexity | 1077.8705 |
Chemical Identifiers
| CAS Number | 381681-77-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)NC(=S)S4)/C2=O |
Product Overview
AB00113738-01 (CAS 381681-77-2), with molecular formula C20H15N3O3S2 and molecular weight 409.06 g/mol. IUPAC: N-(3-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide.
Chemical Property Profile of AB00113738-01
Property Insights of AB00113738-01
The XLogP value of 2.83932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00113738-01. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00113738-01. Following Lipinski's Rule of Five, AB00113738-01 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 AB00113738-01?
The CAS number of AB00113738-01 is 381681-77-2.
What is the molecular formula of AB00113738-01?
The molecular formula of AB00113738-01 is C20H15N3O3S2.
What is the molecular weight of AB00113738-01?
The molecular weight of AB00113738-01 is 409.06 g/mol.
Where can I buy AB00113738-01?
You can request a quote for AB00113738-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00113738-01?
Yes, KEHONG BIO provides custom synthesis services for AB00113738-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.