A3107/0131587
TL;DR: A3107/0131587 (CAS 606923-58-4) is a chemical compound with molecular formula C16H20F3NO4 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
Also Known As: A3107/0131587, 1H-Indole-2,4-dione, 3-hydroxy-6,6-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-3-trifluoromethyl-3,5,6,7-tetrahydro-, 3-hydroxy-6,6-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-3-(trifluoromethyl)-6,7-dihydro-1H-indole-2,4(3H,5H)-dione, 3-hydroxy-6,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione, 3-hydroxy-6,6-dimethyl-1-(tetrahydrofuran-2-ylmethyl)-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
| Molecular Formula | C16H20F3NO4 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.13443 |
| Heavy Atoms | 24 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 606923-58-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(C(=O)N2CC3CCCO3)(C(F)(F)F)O)C |
| InChIKey | URGNBBQPNQDQPH-UHFFFAOYSA-N |
Product Overview
A3107/0131587 (CAS 606923-58-4), with molecular formula C16H20F3NO4 and molecular weight 347.13 g/mol. IUPAC: 3-hydroxy-6,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione.
Chemical Property Profile of A3107/0131587
Property Insights of A3107/0131587
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3107/0131587. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for A3107/0131587. Following Lipinski's Rule of Five, A3107/0131587 has 1 hydrogen bond donor(s) and 7 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 A3107/0131587?
The CAS number of A3107/0131587 is 606923-58-4.
What is the molecular formula of A3107/0131587?
The molecular formula of A3107/0131587 is C16H20F3NO4.
What is the molecular weight of A3107/0131587?
The molecular weight of A3107/0131587 is 347.13 g/mol.
Where can I buy A3107/0131587?
You can request a quote for A3107/0131587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3107/0131587?
Yes, KEHONG BIO provides custom synthesis services for A3107/0131587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.