Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
TL;DR: Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate (CAS 82770-48-7) is a chemical compound with molecular formula C27H30FNO2 and molecular weight 419.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
Also Known As: benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate, benzyl 3-(dibenzylamino)-2-fluoro-4-methyl-pentanoate
| Molecular Formula | C27H30FNO2 |
|---|---|
| Molecular Weight | 419.23 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 419.22604 |
| Heavy Atoms | 31 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 82770-48-7 |
|---|---|
| SMILES | CC(C)C(C(C(=O)OCC1=CC=CC=C1)F)N(CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | DSSFNGQBDOOLFJ-UHFFFAOYSA-N |
Product Overview
Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate (CAS 82770-48-7), with molecular formula C27H30FNO2 and molecular weight 419.23 g/mol. IUPAC: benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate.
Chemical Property Profile of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
Property Insights of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate
The XLogP value of 6.4 indicates that Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate 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 Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate?
The CAS number of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate is 82770-48-7.
What is the molecular formula of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate?
The molecular formula of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate is C27H30FNO2.
What is the molecular weight of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate?
The molecular weight of Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate is 419.23 g/mol.
Where can I buy Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate?
You can request a quote for Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(dibenzylamino)-2-fluoro-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.