CAS RN: 2319647-76-0
OTS514 hydrochloride
Product Availability
Choose a grade to view its available package options.
9 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2319647-76-0
- Purity/Analytical Methods: >99.0%
2319647-76-0 / 9-[4-(1-aminopropan-2-yl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
Basic Information
CAS
2319647-76-0
Multi CAS
No
Molecular Formula
C21H21ClN2O2S
Molecular Weight
400.900000
Exact Mass
400.101227
SMILES
CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)C(C)CN)O.Cl
InChI
InChI=1S/C21H20N2O2S.ClH/c1-11-9-16(24)17(14-5-3-13(4-6-14)12(2)10-22)18-15-7-8-26-20(15)21(25)23-19(11)18;/h3-9,12,24H,10,22H2,1-2H3,(H,23,25);1H
InChIKey
CQPRMBOOBXSZSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
19
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.51
TPSA
79.11
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
4.91
Consensus LogP
4.72
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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