CAS RN: 72335-84-3
Cyclohexanecarbonyl chloride, 1-(2-propynyl)- (9CI)
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.20250805 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72335-84-3
- Purity/Analytical Methods: >99.0%
72335-84-3 / 1-prop-2-ynylcyclohexane-1-carbonyl chloride
Basic Information
CAS
72335-84-3
Multi CAS
No
Molecular Formula
C10H13CLO
Molecular Weight
184.660000
Exact Mass
184.065493
InChI
InChI=1S/C10H13ClO/c1-2-6-10(9(11)12)7-4-3-5-8-10/h1H,3-8H2
InChIKey
YEKGYGDBJDRKBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
49.83
TPSA
17.07
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
3.3
Consensus LogP
2.81
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly 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)
-1.91
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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