CAS RN: 332939-32-9
WAY-322243
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260224 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS332939-32-9
- Purity/Analytical Methods: >99.0%
332939-32-9 / N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
Basic Information
CAS
332939-32-9
Multi CAS
No
Molecular Formula
C18H18N2O2S
Molecular Weight
326.400000
Exact Mass
326.108899
InChI
InChI=1S/C18H18N2O2S/c1-2-5-15(21)20-17(14-7-4-11-23-14)13-9-8-12-6-3-10-19-16(12)18(13)22/h3-4,6-11,17,22H,2,5H2,1H3,(H,20,21)
InChIKey
HQMZBXRQASJEMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.62
TPSA
62.22
LogP / Solubility
WLOGP
4.01
MLOGP
3.54
XLogP3
3.7
Consensus LogP
3.75
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 333312-05-3 8-METHYLTHIENO[2,3-B]QUINOLINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB4475398(1).gif)
