![CAS 154355-88-1 Thiophene, 2-[(4-fluorophenyl)Methyl]-5-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/154355-88-1.gif)
CAS RN: 154355-88-1
Thiophene, 2-[(4-fluorophenyl)Methyl]-5-iodo-
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.20250708 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS154355-88-1
- Purity/Analytical Methods: >99.0%
154355-88-1 / 2-[(4-fluorophenyl)methyl]-5-iodothiophene
Basic Information
CAS
154355-88-1
Multi CAS
No
Molecular Formula
C11H8FIS
Molecular Weight
318.150000
Exact Mass
317.937550
SMILES
C1=CC(=CC=C1CC2=CC=C(S2)I)F
InChI
InChI=1S/C11H8FIS/c12-9-3-1-8(2-4-9)7-10-5-6-11(13)14-10/h1-6H,7H2
InChIKey
PNRNSMBTRRXYBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.24
TPSA
28.2000
LogP / Solubility
WLOGP
4.08
MLOGP
3.61
XLogP3
4.3
Consensus LogP
4
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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