SQ 31486
TL;DR: SQ 31486 (CAS 107967-38-4) is a chemical compound with molecular formula C24H28ClF3N2O4 and molecular weight 500.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride
Also Known As: SQ 31486, SQ 31,486, cis-(+)-3-(Acetyloxy)-1-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-7-(trifluoromethyl)-2H-1-benzazepin-2-one monohydrochloride, [(3R,4S)-1-[2-(Dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride, (3R,4S)-1-[2-(Dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl acetate--hydrogen chloride (1/1)
| Molecular Formula | C24H28ClF3N2O4 |
|---|---|
| Molecular Weight | 500.17 g/mol |
| LogP | 4.302 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.16898 |
| Heavy Atoms | 34 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 107967-38-4 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl |
| InChIKey | YURDPZFQEFWDOK-IKGOIYPNSA-N |
Product Overview
SQ 31486 (CAS 107967-38-4), with molecular formula C24H28ClF3N2O4 and molecular weight 500.17 g/mol. IUPAC: [(3R,4S)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-2-oxo-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate;hydrochloride.
Chemical Property Profile of SQ 31486
Property Insights of SQ 31486
The XLogP value of 4.302 indicates that SQ 31486 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, SQ 31486 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SQ 31486 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SQ 31486?
The CAS number of SQ 31486 is 107967-38-4.
What is the molecular formula of SQ 31486?
The molecular formula of SQ 31486 is C24H28ClF3N2O4.
What is the molecular weight of SQ 31486?
The molecular weight of SQ 31486 is 500.17 g/mol.
Where can I buy SQ 31486?
You can request a quote for SQ 31486 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SQ 31486?
Yes, KEHONG BIO provides custom synthesis services for SQ 31486 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.