CAS RN: 2111836-19-0
6-(2-(benzyloxy)ethoxy)hexan-1-ol
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.20260202 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2111836-19-0
- Purity/Analytical Methods: >99.0%
2111836-19-0 / 6-(2-phenylmethoxyethoxy)hexan-1-ol
Basic Information
CAS
2111836-19-0
Multi CAS
No
Molecular Formula
C15H24O3
Molecular Weight
252.350000
Exact Mass
252.172545
SMILES
C1=CC=C(C=C1)COCCOCCCCCCO
InChI
InChI=1S/C15H24O3/c16-10-6-1-2-7-11-17-12-13-18-14-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14H2
InChIKey
BZWDPLYGNIQAMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.47
TPSA
38.69
LogP / Solubility
WLOGP
2.77
MLOGP
2.45
XLogP3
2.2
Consensus LogP
2.47
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.92
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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