Pentabromophenyl butyrate
TL;DR: Pentabromophenyl butyrate (CAS 83929-71-9) is a chemical compound with molecular formula C10H7Br5O2 and molecular weight 553.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabromophenyl) butanoate
Also Known As: Pentabromophenyl butyrate, Pentabromophenyl butanoate, EINECS 281-365-5, Butanoic acid pentabromophenyl ester, 2,3,4,5,6-Pentabromophenyl butanoate
| Molecular Formula | C10H7Br5O2 |
|---|---|
| Molecular Weight | 553.64 g/mol |
| LogP | 6.2046 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 553.6363 |
| Heavy Atoms | 17 |
| Complexity | 429.49487 |
Chemical Identifiers
| CAS Number | 83929-71-9 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
Product Overview
Pentabromophenyl butyrate (CAS 83929-71-9), with molecular formula C10H7Br5O2 and molecular weight 553.64 g/mol. IUPAC: (2,3,4,5,6-pentabromophenyl) butanoate.
Chemical Property Profile of Pentabromophenyl butyrate
Property Insights of Pentabromophenyl butyrate
The XLogP value of 6.2046 indicates that Pentabromophenyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentabromophenyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromophenyl butyrate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentabromophenyl butyrate?
The CAS number of Pentabromophenyl butyrate is 83929-71-9.
What is the molecular formula of Pentabromophenyl butyrate?
The molecular formula of Pentabromophenyl butyrate is C10H7Br5O2.
What is the molecular weight of Pentabromophenyl butyrate?
The molecular weight of Pentabromophenyl butyrate is 553.64 g/mol.
Where can I buy Pentabromophenyl butyrate?
You can request a quote for Pentabromophenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentabromophenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Pentabromophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.