1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate
TL;DR: 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate (CAS 1988-58-5) is a chemical compound with molecular formula C23H15F5O4 and molecular weight 450.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propyl] benzoate
Also Known As: 3-(Pentafluorophenyl)propane-1,2-diyl dibenzoate, 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate, 2-(BENZOYLOXY)-3-(2,3,4,5,6-PENTAFLUOROPHENYL)PROPYL BENZOATE, [2-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propyl] benzoate, [1-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propan-2-yl] Benzoate
| Molecular Formula | C23H15F5O4 |
|---|---|
| Molecular Weight | 450.09 g/mol |
| LogP | 5.0072 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.08905 |
| Heavy Atoms | 32 |
| Complexity | 1091.2307 |
Chemical Identifiers
| CAS Number | 1988-58-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(CC2=C(C(=C(C(=C2F)F)F)F)F)OC(=O)C3=CC=CC=C3 |
Product Overview
1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate (CAS 1988-58-5), with molecular formula C23H15F5O4 and molecular weight 450.09 g/mol. IUPAC: [2-benzoyloxy-3-(2,3,4,5,6-pentafluorophenyl)propyl] benzoate.
Chemical Property Profile of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate
Property Insights of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate
The XLogP value of 5.0072 indicates that 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate 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 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate?
The CAS number of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate is 1988-58-5.
What is the molecular formula of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate?
The molecular formula of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate is C23H15F5O4.
What is the molecular weight of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate?
The molecular weight of 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate is 450.09 g/mol.
Where can I buy 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate?
You can request a quote for 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(2,3,4,5,6-pentafluorophenyl)-, 1,2-dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.