SM-130686 free base
TL;DR: SM-130686 free base (CAS 259666-71-2) is a chemical compound with molecular formula C22H23ClF3N3O3 and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide
Also Known As: SM-130686 free base, J1.680.849K, 1H-Indole-6-carboxamide, 3-(2-chlorophenyl)-1-(2-(diethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-oxo-4-(trifluoromethyl)-, (3S)-, (3R)-3-(2-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide, (3S)-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)-2,3-dihydro-1H-indole-6-carboxamide
| Molecular Formula | C22H23ClF3N3O3 |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 3.382 |
| Topological Polar Surface Area | 86.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.138 |
| Heavy Atoms | 32 |
| Complexity | 1056.447 |
Chemical Identifiers
| CAS Number | 259666-71-2 |
|---|---|
| SMILES | CCN(CC)CCN1C2=CC(=CC(=C2[C@@](C1=O)(C3=CC=CC=C3Cl)O)C(F)(F)F)C(=O)N |
Product Overview
SM-130686 free base (CAS 259666-71-2), with molecular formula C22H23ClF3N3O3 and molecular weight 469.14 g/mol. IUPAC: (3S)-3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide.
Chemical Property Profile of SM-130686 free base
Property Insights of SM-130686 free base
The XLogP value of 3.382 indicates that SM-130686 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.87 Ų falls within the moderate polarity range, balancing permeability and solubility for SM-130686 free base. Following Lipinski's Rule of Five, SM-130686 free base has 2 hydrogen bond donor(s) and 4 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 SM-130686 free base?
The CAS number of SM-130686 free base is 259666-71-2.
What is the molecular formula of SM-130686 free base?
The molecular formula of SM-130686 free base is C22H23ClF3N3O3.
What is the molecular weight of SM-130686 free base?
The molecular weight of SM-130686 free base is 469.14 g/mol.
Where can I buy SM-130686 free base?
You can request a quote for SM-130686 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SM-130686 free base?
Yes, KEHONG BIO provides custom synthesis services for SM-130686 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.