2-Propyn-1-yl 2,4,6-tribromophenyl phthalate
TL;DR: 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate (CAS 330460-32-7) is a chemical compound with molecular formula C17H9Br3O4 and molecular weight 513.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-prop-2-ynyl 2-O-(2,4,6-tribromophenyl) benzene-1,2-dicarboxylate
Also Known As: CBChromo1_000209, Probes1_000181, Probes2_000348, 2-propyn-1-yl 2,4,6-tribromophenyl phthalate, BAS 00679514
| Molecular Formula | C17H9Br3O4 |
|---|---|
| Molecular Weight | 513.81 g/mol |
| LogP | 4.9833 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 513.8051 |
| Heavy Atoms | 24 |
| Complexity | 816.96466 |
Chemical Identifiers
| CAS Number | 330460-32-7 |
|---|---|
| SMILES | C#CCOC(=O)C1=CC=CC=C1C(=O)OC2=C(C=C(C=C2Br)Br)Br |
Product Overview
2-Propyn-1-yl 2,4,6-tribromophenyl phthalate (CAS 330460-32-7), with molecular formula C17H9Br3O4 and molecular weight 513.81 g/mol. IUPAC: 1-O-prop-2-ynyl 2-O-(2,4,6-tribromophenyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate
Property Insights of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate
The XLogP value of 4.9833 indicates that 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate?
The CAS number of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate is 330460-32-7.
What is the molecular formula of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate?
The molecular formula of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate is C17H9Br3O4.
What is the molecular weight of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate?
The molecular weight of 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate is 513.81 g/mol.
Where can I buy 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate?
You can request a quote for 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-yl 2,4,6-tribromophenyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.