BX-471 free base
TL;DR: BX-471 free base (CAS 217645-70-0) is a chemical compound with molecular formula C21H24ClFN4O3 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
Also Known As: BX-471 free base, BX-471free base, 217645-70-0 (free base), Zk-811752(bx-471), (R)-1-(5-chloro-2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethoxy)phenyl)urea
| Molecular Formula | C21H24ClFN4O3 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.1521 |
| Heavy Atoms | 30 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 217645-70-0 |
|---|---|
| SMILES | C[C@@H]1CN(CCN1C(=O)COC2=C(C=C(C=C2)Cl)NC(=O)N)CC3=CC=C(C=C3)F |
| InChIKey | XQYASZNUFDVMFH-CQSZACIVSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BX-471 free base (CAS 217645-70-0), with molecular formula C21H24ClFN4O3 and molecular weight 434.15 g/mol. IUPAC: [5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea.
Chemical Property Profile of BX-471 free base
Property Insights of BX-471 free base
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BX-471 free base. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BX-471 free base. Following Lipinski's Rule of Five, BX-471 free base has 2 hydrogen bond donor(s) and 5 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 BX-471 free base?
The CAS number of BX-471 free base is 217645-70-0.
What is the molecular formula of BX-471 free base?
The molecular formula of BX-471 free base is C21H24ClFN4O3.
What is the molecular weight of BX-471 free base?
The molecular weight of BX-471 free base is 434.15 g/mol.
Where can I buy BX-471 free base?
You can request a quote for BX-471 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BX-471 free base?
Yes, KEHONG BIO provides custom synthesis services for BX-471 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.