CAS RN: 50873-94-4
1-(Benzyloxy)-4-iodobutane
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.20250124 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50873-94-4
- Purity/Analytical Methods: >99.0%
50873-94-4 / 4-iodobutoxymethylbenzene
Basic Information
CAS
50873-94-4
Multi CAS
No
Molecular Formula
C11H15IO
Molecular Weight
290.140000
Exact Mass
290.016760
InChI
InChI=1S/C11H15IO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
GTQXIWCYQNTNIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
64.22
TPSA
9.23
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.6
Consensus LogP
3.35
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 50874-27-6
- Product Code: starshine_CAS50874-27-6
- Purity/Analytical method: >99.0%
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