Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-
TL;DR: Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- (CAS 61338-96-3) is a chemical compound with molecular formula C21H17FO3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-3,4-bis(phenylmethoxy)benzaldehyde
Also Known As: Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-, 3,4-Bis(benzyloxy)-2-fluorobenzaldehyde, 2-Fluoro-3,4-bis(benzyloxy)benzaldehyde, 2-fluoro-3,4-bis(phenylmethoxy)benzaldehyde, 3,4-Bis(benzyloxy)-2-fluorobenzaldehyde #
| Molecular Formula | C21H17FO3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.11618 |
| Heavy Atoms | 25 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 61338-96-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C(=C(C=C2)C=O)F)OCC3=CC=CC=C3 |
| InChIKey | RQYQUZBOGGGDCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- (CAS 61338-96-3), with molecular formula C21H17FO3 and molecular weight 336.12 g/mol. IUPAC: 2-fluoro-3,4-bis(phenylmethoxy)benzaldehyde.
Chemical Property Profile of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-
Property Insights of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-
The XLogP value of 4.4 indicates that Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- has 0 hydrogen bond donor(s) and 4 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 Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-?
The CAS number of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- is 61338-96-3.
What is the molecular formula of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-?
The molecular formula of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- is C21H17FO3.
What is the molecular weight of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-?
The molecular weight of Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- is 336.12 g/mol.
Where can I buy Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-?
You can request a quote for Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 3,4-dibenzyloxy-2-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 3,4-dibenzyloxy-2-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.