ABT 299
TL;DR: ABT 299 (CAS 161395-35-3) is a chemical compound with molecular formula C32H28ClFN4O4S and molecular weight 618.15 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 chloride
Also Known As: ABT 299, ABT299, EX-A11959, A-85783, Pyridinium, 1-((acetyloxy)methyl)-3-((3R)-7-((1-((dimethylamino)carbonyl)-6-(4-fluorophenyl)-1H-indol-3-yl)carbonyl)-1H,3H-pyrrolo(1,2-C)thiazol-3-yl)-, chloride (1:1)
| Molecular Formula | C32H28ClFN4O4S |
|---|---|
| Molecular Weight | 618.15 g/mol |
| LogP | 2.6154 |
| Topological Polar Surface Area | 77.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.1504 |
| Heavy Atoms | 43 |
| Complexity | 1865.2816 |
Chemical Identifiers
| CAS Number | 161395-35-3 |
|---|---|
| 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.[Cl-] |
Product Overview
ABT 299 (CAS 161395-35-3), with molecular formula C32H28ClFN4O4S and molecular weight 618.15 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 chloride.
Chemical Property Profile of ABT 299
Property Insights of ABT 299
The XLogP value of 2.6154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ABT 299. The TPSA of 77.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT 299. Following Lipinski's Rule of Five, ABT 299 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?
The CAS number of ABT 299 is 161395-35-3.
What is the molecular formula of ABT 299?
The molecular formula of ABT 299 is C32H28ClFN4O4S.
What is the molecular weight of ABT 299?
The molecular weight of ABT 299 is 618.15 g/mol.
Where can I buy ABT 299?
You can request a quote for ABT 299 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT 299?
Yes, KEHONG BIO provides custom synthesis services for ABT 299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.