BIA-3-335 free base
TL;DR: BIA-3-335 free base (CAS 747401-28-1) is a chemical compound with molecular formula C20H20F3N3O5 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
Also Known As: BIA-3-335 free base, 1h1d, J3.353.978I, 1-Propanone, 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, BIA
| Molecular Formula | C20H20F3N3O5 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 3.4198 |
| Topological Polar Surface Area | 107.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.1355 |
| Heavy Atoms | 31 |
| Complexity | 988.5111 |
Chemical Identifiers
| CAS Number | 747401-28-1 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F |
Product Overview
BIA-3-335 free base (CAS 747401-28-1), with molecular formula C20H20F3N3O5 and molecular weight 439.14 g/mol. IUPAC: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
Chemical Property Profile of BIA-3-335 free base
Property Insights of BIA-3-335 free base
The XLogP value of 3.4198 indicates that BIA-3-335 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BIA-3-335 free base. Following Lipinski's Rule of Five, BIA-3-335 free base has 2 hydrogen bond donor(s) and 7 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 BIA-3-335 free base?
The CAS number of BIA-3-335 free base is 747401-28-1.
What is the molecular formula of BIA-3-335 free base?
The molecular formula of BIA-3-335 free base is C20H20F3N3O5.
What is the molecular weight of BIA-3-335 free base?
The molecular weight of BIA-3-335 free base is 439.14 g/mol.
Where can I buy BIA-3-335 free base?
You can request a quote for BIA-3-335 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIA-3-335 free base?
Yes, KEHONG BIO provides custom synthesis services for BIA-3-335 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.