AB01279687-01
TL;DR: AB01279687-01 (CAS 836665-95-3) is a chemical compound with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-fluorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate
Also Known As: AB01279687-01, ethyl 6-(4-fluorophenyl)-4-oxo-3-propyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, ethyl 6-(4-fluorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate, ethyl 6-(4-fluorophenyl)-4-oxo-3-propyl-5,6,7-trihydroindole-2-carboxylate
| Molecular Formula | C20H22FNO3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 4.1957 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1584 |
| Heavy Atoms | 25 |
| Complexity | 792.01776 |
Chemical Identifiers
| CAS Number | 836665-95-3 |
|---|---|
| SMILES | CCCC1=C(NC2=C1C(=O)CC(C2)C3=CC=C(C=C3)F)C(=O)OCC |
Product Overview
AB01279687-01 (CAS 836665-95-3), with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol. IUPAC: ethyl 6-(4-fluorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate.
Chemical Property Profile of AB01279687-01
Property Insights of AB01279687-01
The XLogP value of 4.1957 indicates that AB01279687-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, AB01279687-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01279687-01 has 1 hydrogen bond donor(s) and 3 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 AB01279687-01?
The CAS number of AB01279687-01 is 836665-95-3.
What is the molecular formula of AB01279687-01?
The molecular formula of AB01279687-01 is C20H22FNO3.
What is the molecular weight of AB01279687-01?
The molecular weight of AB01279687-01 is 343.16 g/mol.
Where can I buy AB01279687-01?
You can request a quote for AB01279687-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01279687-01?
Yes, KEHONG BIO provides custom synthesis services for AB01279687-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.