CAS RN: 1818268-45-9
(5-(4-fluorophenyl)thiophen-2-yl)(5-iodo-2-methylphenyl)methanol
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.20250321 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1818268-45-9
- Purity/Analytical Methods: >99.0%
1818268-45-9 / [5-(4-fluorophenyl)thiophen-2-yl]-(5-iodo-2-methylphenyl)methanol
Basic Information
CAS
1818268-45-9
Multi CAS
No
Molecular Formula
C18H14FIOS
Molecular Weight
424.300000
Exact Mass
423.979410
SMILES
CC1=C(C=C(C=C1)I)C(C2=CC=C(S2)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H14FIOS/c1-11-2-7-14(20)10-15(11)18(21)17-9-8-16(22-17)12-3-5-13(19)6-4-12/h2-10,18,21H,1H3
InChIKey
NQVHPWTYCPDLIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
97.67
TPSA
20.23
LogP / Solubility
WLOGP
5.55
MLOGP
4.91
XLogP3
5.2
Consensus LogP
5.22
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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
Yes
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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