AB01316735-02
TL;DR: AB01316735-02 (CAS 587007-01-0) is a chemical compound with molecular formula C20H20F3NO5 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-1-yl]benzoate
Also Known As: AB01316735-02, A3281/0139607, ethyl 4-[3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl]benzoate, ethyl 4-(3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-indol-1-yl)benzoate, ethyl 4-[3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-1-yl]benzoate
| Molecular Formula | C20H20F3NO5 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.1465 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.12936 |
| Heavy Atoms | 29 |
| Complexity | 917.0395 |
Chemical Identifiers
| CAS Number | 587007-01-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C3=C(C(=O)CC(C3)(C)C)C(C2=O)(C(F)(F)F)O |
Product Overview
AB01316735-02 (CAS 587007-01-0), with molecular formula C20H20F3NO5 and molecular weight 411.13 g/mol. IUPAC: ethyl 4-[3-hydroxy-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-1-yl]benzoate.
Chemical Property Profile of AB01316735-02
Property Insights of AB01316735-02
The XLogP value of 3.1465 indicates that AB01316735-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01316735-02. Following Lipinski's Rule of Five, AB01316735-02 has 1 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 AB01316735-02?
The CAS number of AB01316735-02 is 587007-01-0.
What is the molecular formula of AB01316735-02?
The molecular formula of AB01316735-02 is C20H20F3NO5.
What is the molecular weight of AB01316735-02?
The molecular weight of AB01316735-02 is 411.13 g/mol.
Where can I buy AB01316735-02?
You can request a quote for AB01316735-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01316735-02?
Yes, KEHONG BIO provides custom synthesis services for AB01316735-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.