RefChem:547138
TL;DR: RefChem:547138 (CAS 58721-74-7) is a chemical compound with molecular formula C17H19F3N2O and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one
Also Known As: 2,2-bipyridine-6-carboxylic acid, 1,2,3,8-Tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3,2-g]quinolin-7-one, 1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one, 1,2,3,8-Tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo(3,2-g)quinolin-7-one, 1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one
| Molecular Formula | C17H19F3N2O |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.14496 |
| Heavy Atoms | 23 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 58721-74-7 |
|---|---|
| SMILES | CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C |
| InChIKey | IOUKYANHUBKAIN-UHFFFAOYSA-N |
Product Overview
RefChem:547138 (CAS 58721-74-7), with molecular formula C17H19F3N2O and molecular weight 324.14 g/mol. IUPAC: 1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one.
Chemical Property Profile of RefChem:547138
Property Insights of RefChem:547138
The XLogP value of 3.4 indicates that RefChem:547138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, RefChem:547138 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:547138 has 0 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 RefChem:547138?
The CAS number of RefChem:547138 is 58721-74-7.
What is the molecular formula of RefChem:547138?
The molecular formula of RefChem:547138 is C17H19F3N2O.
What is the molecular weight of RefChem:547138?
The molecular weight of RefChem:547138 is 324.14 g/mol.
Where can I buy RefChem:547138?
You can request a quote for RefChem:547138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:547138?
Yes, KEHONG BIO provides custom synthesis services for RefChem:547138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.