PHA 568487 free base
TL;DR: PHA 568487 free base (CAS 527680-57-5) is a chemical compound with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: PHA 568487 free base, 4-pyrrol-1-ylaniline, PHA 568487 (free base), Tox21_300449, N-(3R)-1-Azabicyclo(2.2.2)oct-3-yl-2,3-dihydro-1,4-benzodioxin-6-carboxamide
| Molecular Formula | C16H20N2O3 |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 1.2818 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1474 |
| Heavy Atoms | 21 |
| Complexity | 552.4531 |
Chemical Identifiers
| CAS Number | 527680-57-5 |
|---|---|
| SMILES | C1CN2CCC1[C@H](C2)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
PHA 568487 free base (CAS 527680-57-5), with molecular formula C16H20N2O3 and molecular weight 288.15 g/mol. IUPAC: N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of PHA 568487 free base
Property Insights of PHA 568487 free base
The XLogP value of 1.2818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PHA 568487 free base. With a topological polar surface area (TPSA) of 50.8 Ų, PHA 568487 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PHA 568487 free base has 1 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 PHA 568487 free base?
The CAS number of PHA 568487 free base is 527680-57-5.
What is the molecular formula of PHA 568487 free base?
The molecular formula of PHA 568487 free base is C16H20N2O3.
What is the molecular weight of PHA 568487 free base?
The molecular weight of PHA 568487 free base is 288.15 g/mol.
Where can I buy PHA 568487 free base?
You can request a quote for PHA 568487 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PHA 568487 free base?
Yes, KEHONG BIO provides custom synthesis services for PHA 568487 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.