CAS RN: 1567095-10-6
1-hydroxy-4-methoxycyclohexane-1-carbonitrile
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260603 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH927311
1567095-10-6 / 1-hydroxy-4-methoxycyclohexane-1-carbonitrile
Basic Information
CAS
1567095-10-6
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
COC1CCC(CC1)(C#N)O
InChI
InChI=1S/C8H13NO2/c1-11-7-2-4-8(10,6-9)5-3-7/h7,10H,2-5H2,1H3
InChIKey
RXDOTBNFGMNZRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.83
TPSA
53.25
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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