CAS RN: 66532-86-3
Propacetamol hydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250930 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS66532-86-3
- Purity/Analytical Methods: >99.0%
66532-86-3 / (4-acetamidophenyl) 2-(diethylamino)acetate;hydrochloride
Basic Information
CAS
66532-86-3
Multi CAS
Yes
Molecular Formula
C14H21CLN2O3
Molecular Weight
300.780000
Exact Mass
300.124070
InChI
InChI=1S/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H
InChIKey
WGTYJNGARJPYKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.42
TPSA
58.64
LogP / Solubility
WLOGP
2.31
MLOGP
2.05
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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