CAS RN: 49775-37-3
3-ethoxypropionyl 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.20260526 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS49775-37-3
- Purity/Analytical Methods: >99.0%
49775-37-3 / 3-ethoxypropanoyl chloride
Basic Information
CAS
49775-37-3
Multi CAS
No
Molecular Formula
C5H9CLO2
Molecular Weight
136.580000
Exact Mass
136.029107
InChI
InChI=1S/C5H9ClO2/c1-2-8-4-3-5(6)7/h2-4H2,1H3
InChIKey
GFXIPEXVMCDDBA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
31.97
TPSA
26.3
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.72
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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