2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate
TL;DR: 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate (CAS 115887-23-5) is a chemical compound with molecular formula C20H28ClNO4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-[1-(2-chlorophenyl)-3-oxononyl]sulfanylpropanoic acid
Also Known As: Aacpontp, Aurora-A Inhibitor I, 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate, 2-acetamido-3-[1-(2-chlorophenyl)-3-oxononyl]sulfanylpropanoic acid, DL-Cysteine, N-acetyl-S-(1-(2-chlorophenyl)-3-oxononyl)-
| Molecular Formula | C20H28ClNO4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 413.14276 |
| Heavy Atoms | 27 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 115887-23-5 |
|---|---|
| SMILES | CCCCCCC(=O)CC(C1=CC=CC=C1Cl)SCC(C(=O)O)NC(=O)C |
| InChIKey | QSKPZKQBDISPJO-UHFFFAOYSA-N |
Product Overview
2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate (CAS 115887-23-5), with molecular formula C20H28ClNO4S and molecular weight 413.14 g/mol. IUPAC: 2-acetamido-3-[1-(2-chlorophenyl)-3-oxononyl]sulfanylpropanoic acid.
Chemical Property Profile of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate
Property Insights of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate
The XLogP value of 4.1 indicates that 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate. Following Lipinski's Rule of Five, 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate 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 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate?
The CAS number of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate is 115887-23-5.
What is the molecular formula of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate?
The molecular formula of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate is C20H28ClNO4S.
What is the molecular weight of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate?
The molecular weight of 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate is 413.14 g/mol.
Where can I buy 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate?
You can request a quote for 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-Acetylamino)-3-(1-(2-chlorophenyl)-3-oxononylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.