CAS RN: 55183-45-4
5-Hexynoyl 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.20260609 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS55183-45-4
- Purity/Analytical Methods: >99.0%
55183-45-4 / hex-5-ynoyl chloride
Basic Information
CAS
55183-45-4
Multi CAS
No
Molecular Formula
C6H7CLO
Molecular Weight
130.570000
Exact Mass
130.018543
InChI
InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h1H,3-5H2
InChIKey
WZBQFNAWQPYQPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
33.54
TPSA
17.07
LogP / Solubility
WLOGP
1.56
MLOGP
1.36
XLogP3
1.6
Consensus LogP
1.51
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.41
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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