CAS RN: 41248-28-6
ethyl 1-hydroxy-3-methylcyclohexane-1-carboxylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE927307
41248-28-6 / ethyl 1-hydroxy-3-methylcyclohexane-1-carboxylate
Basic Information
CAS
41248-28-6
Multi CAS
No
Molecular Formula
C10H18O3
Molecular Weight
186.250000
Exact Mass
186.125594
InChI
InChI=1S/C10H18O3/c1-3-13-9(11)10(12)6-4-5-8(2)7-10/h8,12H,3-7H2,1-2H3
InChIKey
XCJFZDUEBDZJCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.21
TPSA
46.53
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.9
Consensus LogP
1.57
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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