ABT-299 cation
TL;DR: ABT-299 cation (CAS 172174-30-0) is a chemical compound with molecular formula C32H28FN4O4S+ and molecular weight 583.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate
Also Known As: ABT-299 cation, Pyridinium, 1-((acetyloxy)methyl)-3-(7-((1-((dimethylamino)carbonyl)-6-(4-fluorophenyl)-1H-indol-3-yl)carbonyl)-1H,3H-pyrrolo(1,2-C)thiazol-3-yl)-, (R)-, 1-[(Acetoxy)methyl]-3-[(3R)-7-[[6-(4-fluorophenyl)-1-[(dimethylamino)carbonyl]-1H-indol-3-yl]carbonyl]-1H-pyrrolo[1,2-c]thiazol-3-yl]pyridinium, 1-[(acetyloxy)methyl]-3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)-1H-indole-3-carbonyl]-1H,3H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium, 1-Acetoxymethyl-3-{(R)-7-[1-dimethylcarbamoyl-6-(4-fluoro-phenyl)-1H-indole-3-carbonyl]-1H-pyrrolo[1,2-c]thiazol-3-yl}-pyridinium; chloride
| Molecular Formula | C32H28FN4O4S+ |
|---|---|
| Molecular Weight | 583.18 g/mol |
| LogP | 5.6114 |
| Topological Polar Surface Area | 77.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 583.1815 |
| Heavy Atoms | 42 |
| Complexity | 1858.4296 |
Chemical Identifiers
| CAS Number | 172174-30-0 |
|---|---|
| SMILES | CC(=O)OC[N+]1=CC=CC(=C1)[C@@H]2N3C=CC(=C3CS2)C(=O)C4=CN(C5=C4C=CC(=C5)C6=CC=C(C=C6)F)C(=O)N(C)C |
Product Overview
ABT-299 cation (CAS 172174-30-0), with molecular formula C32H28FN4O4S+ and molecular weight 583.18 g/mol. IUPAC: [3-[(3R)-7-[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)indole-3-carbonyl]-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-3-yl]pyridin-1-ium-1-yl]methyl acetate.
Chemical Property Profile of ABT-299 cation
Property Insights of ABT-299 cation
The XLogP value of 5.6114 indicates that ABT-299 cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT-299 cation. Following Lipinski's Rule of Five, ABT-299 cation has 0 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-299 cation?
The CAS number of ABT-299 cation is 172174-30-0.
What is the molecular formula of ABT-299 cation?
The molecular formula of ABT-299 cation is C32H28FN4O4S+.
What is the molecular weight of ABT-299 cation?
The molecular weight of ABT-299 cation is 583.18 g/mol.
Where can I buy ABT-299 cation?
You can request a quote for ABT-299 cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT-299 cation?
Yes, KEHONG BIO provides custom synthesis services for ABT-299 cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.