SQ 32191
TL;DR: SQ 32191 (CAS 127061-43-2) is a chemical compound with molecular formula C18H16F3NO3 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
Also Known As: 1,3,4,5-Tetrahydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2H-1-benzazepin-2-one, (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one, 2H-1-Benzazepin-2-one, 1,3,4,5-tetrahydro-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-, (3R-cis)-, (3R,4S)-4-(4-Methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-2,3-diol, 4-(4-Methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-2,3-diol
| Molecular Formula | C18H16F3NO3 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.10822 |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 127061-43-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC=C3NC(=O)[C@@H]2O)C(F)(F)F |
| InChIKey | ONMIAHGWZCQYQB-BLLLJJGKSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SQ 32191 (CAS 127061-43-2), with molecular formula C18H16F3NO3 and molecular weight 351.11 g/mol. IUPAC: (3R,4S)-3-hydroxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
Chemical Property Profile of SQ 32191
Property Insights of SQ 32191
The XLogP value of 3.1 indicates that SQ 32191 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, SQ 32191 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SQ 32191 has 2 hydrogen bond donor(s) and 6 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 SQ 32191?
The CAS number of SQ 32191 is 127061-43-2.
What is the molecular formula of SQ 32191?
The molecular formula of SQ 32191 is C18H16F3NO3.
What is the molecular weight of SQ 32191?
The molecular weight of SQ 32191 is 351.11 g/mol.
Where can I buy SQ 32191?
You can request a quote for SQ 32191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 32191?
Yes, KEHONG BIO provides custom synthesis services for SQ 32191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.