![CAS 2065187-04-2 1-(benzo[d]thiazol-2-yl)-1-(4-fluorophenyl)pent-4-en-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2065187-04-2.png)
CAS RN: 2065187-04-2
1-(benzo[d]thiazol-2-yl)-1-(4-fluorophenyl)pent-4-en-1-ol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250907 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2065187-04-2
- Purity/Analytical Methods: >99.0%
2065187-04-2 / 1-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)pent-4-en-1-ol
Basic Information
CAS
2065187-04-2
Multi CAS
No
Molecular Formula
C18H16FNOS
Molecular Weight
313.400000
Exact Mass
313.093663
SMILES
C=CCCC(C1=CC=C(C=C1)F)(C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C18H16FNOS/c1-2-3-12-18(21,13-8-10-14(19)11-9-13)17-20-15-6-4-5-7-16(15)22-17/h2,4-11,21H,1,3,12H2
InChIKey
TULZVXDDWXJEET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
88.45
TPSA
33.12
LogP / Solubility
WLOGP
4.64
MLOGP
4.09
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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