CAS RN: 55930-23-9
trans-4-Methylcyclohexane-1-carbonyl chloride
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.20250531 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55930-23-9
- Purity/Analytical Methods: >99.0%
55930-23-9 / 4-methylcyclohexane-1-carbonyl chloride
Basic Information
CAS
55930-23-9
Multi CAS
No
Molecular Formula
C8H13CLO
Molecular Weight
160.640000
Exact Mass
160.065493
InChI
InChI=1S/C8H13ClO/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3
InChIKey
ODYARUXXIJYYNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.98
TPSA
17.07
LogP / Solubility
WLOGP
2.58
MLOGP
2.26
XLogP3
3.1
Consensus LogP
2.65
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-1.87
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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