Abt 491
TL;DR: Abt 491 (CAS 189689-94-9) is a chemical compound with molecular formula C28H23ClFN5O2 and molecular weight 515.15 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;hydrochloride
Also Known As: ABT-491 hydrochloride, ABT 491 hydrochloride, ABT 491, A137491 hydrochloride, ABT-491 hydrochloride
| Molecular Formula | C28H23ClFN5O2 |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 5.04562 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.1524 |
| Heavy Atoms | 37 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 189689-94-9 |
|---|---|
| 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.Cl |
| InChIKey | AWRGBOKANQBIBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Abt 491 (CAS 189689-94-9), with molecular formula C28H23ClFN5O2 and molecular weight 515.15 g/mol. IUPAC: 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethylindole-1-carboxamide;hydrochloride.
Chemical Property Profile of Abt 491
Property Insights of Abt 491
The XLogP value of 5.04562 indicates that Abt 491 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. Following Lipinski's Rule of Five, Abt 491 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abt 491?
The CAS number of Abt 491 is 189689-94-9.
What is the molecular formula of Abt 491?
The molecular formula of Abt 491 is C28H23ClFN5O2.
What is the molecular weight of Abt 491?
The molecular weight of Abt 491 is 515.15 g/mol.
Where can I buy Abt 491?
You can request a quote for Abt 491 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abt 491?
Yes, KEHONG BIO provides custom synthesis services for Abt 491 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.