Benzaldesoxybenzoin
TL;DR: Benzaldesoxybenzoin (CAS 4023-77-2) is a chemical compound with molecular formula C21H16O and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-triphenylprop-2-en-1-one
Also Known As: Benzaldesoxybenzoin, 1,2,3-triphenylprop-2-en-1-one, (Z)-1,2,3-triphenylprop-2-en-1-one
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.12012 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 4023-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3 |
| InChIKey | IOGCSUPDVDJIOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzaldesoxybenzoin (CAS 4023-77-2), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 1,2,3-triphenylprop-2-en-1-one.
Chemical Property Profile of Benzaldesoxybenzoin
Property Insights of Benzaldesoxybenzoin
The XLogP value of 5.3 indicates that Benzaldesoxybenzoin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benzaldesoxybenzoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldesoxybenzoin has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzaldesoxybenzoin?
The CAS number of Benzaldesoxybenzoin is 4023-77-2.
What is the molecular formula of Benzaldesoxybenzoin?
The molecular formula of Benzaldesoxybenzoin is C21H16O.
What is the molecular weight of Benzaldesoxybenzoin?
The molecular weight of Benzaldesoxybenzoin is 284.12 g/mol.
Where can I buy Benzaldesoxybenzoin?
You can request a quote for Benzaldesoxybenzoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldesoxybenzoin?
Yes, KEHONG BIO provides custom synthesis services for Benzaldesoxybenzoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.