CAS RN: 142477-34-7
5-HT1A modulator 1
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.20250111 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS142477-34-7
- Purity/Analytical Methods: >99.0%
142477-34-7 / 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzothiazol-2-one
Basic Information
CAS
142477-34-7
Multi CAS
No
Molecular Formula
C21H25N3O2S
Molecular Weight
383.500000
Exact Mass
383.166748
SMILES
CN1C2=C(C=C(C=C2)CCN3CCN(CC3)C4=CC=CC=C4OC)SC1=O
InChI
InChI=1S/C21H25N3O2S/c1-22-18-8-7-16(15-20(18)27-21(22)25)9-10-23-11-13-24(14-12-23)17-5-3-4-6-19(17)26-2/h3-8,15H,9-14H2,1-2H3
InChIKey
RTHIBOYVHBRSHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
112.42
TPSA
37.71
LogP / Solubility
WLOGP
2.97
MLOGP
2.64
XLogP3
3.7
Consensus LogP
3.1
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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