ABT-491 free base
TL;DR: ABT-491 free base (CAS 170499-15-7) is a chemical compound with molecular formula C28H22FN5O2 and molecular weight 479.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide
Also Known As: ABT-491 free base, ABT 491 hydrochloride, ABT491, ABT 491, EX-A15343
| Molecular Formula | C28H22FN5O2 |
|---|---|
| Molecular Weight | 479.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.17575 |
| Heavy Atoms | 36 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 170499-15-7 |
|---|---|
| SMILES | CC1=NC2=C(N1CC3=C(C=C(C=C3)C(=O)C4=CN(C5=CC=CC(=C54)C#C)C(=O)N(C)C)F)C=CN=C2 |
| InChIKey | GDLNHSUSOZEAOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ABT-491 free base (CAS 170499-15-7), with molecular formula C28H22FN5O2 and molecular weight 479.18 g/mol. IUPAC: 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide.
Chemical Property Profile of ABT-491 free base
Property Insights of ABT-491 free base
The XLogP value of 4.0 indicates that ABT-491 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT-491 free base. Following Lipinski's Rule of Five, ABT-491 free base has 0 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 ABT-491 free base?
The CAS number of ABT-491 free base is 170499-15-7.
What is the molecular formula of ABT-491 free base?
The molecular formula of ABT-491 free base is C28H22FN5O2.
What is the molecular weight of ABT-491 free base?
The molecular weight of ABT-491 free base is 479.18 g/mol.
Where can I buy ABT-491 free base?
You can request a quote for ABT-491 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT-491 free base?
Yes, KEHONG BIO provides custom synthesis services for ABT-491 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.