Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate
TL;DR: Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate (CAS 303134-01-2) is a chemical compound with molecular formula C14H12Cl3NO3 and molecular weight 346.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate
Also Known As: BAS 00821884, prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate, prop-2-yn-1-yl 5-oxo-5-((2,4,6-trichlorophenyl)amino)pentanoate, prop-2-ynyl 4-[N-(2,4,6-trichlorophenyl)carbamoyl]butanoate, 2-Propyn-1-yl 5-oxo-5-[(2,4,6-trichlorophenyl)amino]pentanoate
| Molecular Formula | C14H12Cl3NO3 |
|---|---|
| Molecular Weight | 346.99 g/mol |
| LogP | 3.932 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.98828 |
| Heavy Atoms | 21 |
| Complexity | 558.3123 |
Chemical Identifiers
| CAS Number | 303134-01-2 |
|---|---|
| SMILES | C#CCOC(=O)CCCC(=O)NC1=C(C=C(C=C1Cl)Cl)Cl |
Product Overview
Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate (CAS 303134-01-2), with molecular formula C14H12Cl3NO3 and molecular weight 346.99 g/mol. IUPAC: prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate.
Chemical Property Profile of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate
Property Insights of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate
The XLogP value of 3.932 indicates that Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate has 1 hydrogen bond donor(s) and 3 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 Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate?
The CAS number of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate is 303134-01-2.
What is the molecular formula of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate?
The molecular formula of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate is C14H12Cl3NO3.
What is the molecular weight of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate?
The molecular weight of Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate is 346.99 g/mol.
Where can I buy Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate?
You can request a quote for Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl 5-oxo-5-(2,4,6-trichloroanilino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.