CAS RN: 90726-37-7
4-propoxycyclohexan-1-ol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251116 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP927202
90726-37-7 / 4-propoxycyclohexan-1-ol
Basic Information
CAS
90726-37-7
Multi CAS
No
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
InChI
InChI=1S/C9H18O2/c1-2-7-11-9-5-3-8(10)4-6-9/h8-10H,2-7H2,1H3
InChIKey
ZNRUCFNTXFJMGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.51
TPSA
29.46
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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