CAS RN: 18268-14-9
α-Isopropylaminopentiophenone (hydrochloride)
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.20251007 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS18268-14-9
- Purity/Analytical Methods: >99.0%
18268-14-9 / 1-phenyl-2-(propan-2-ylamino)pentan-1-one;hydrochloride
Basic Information
CAS
18268-14-9
Multi CAS
No
Molecular Formula
C14H22ClNO
Molecular Weight
255.780000
Exact Mass
255.138992
SMILES
CCCC(C(=O)C1=CC=CC=C1)NC(C)C.Cl
InChI
InChI=1S/C14H21NO.ClH/c1-4-8-13(15-11(2)3)14(16)12-9-6-5-7-10-12;/h5-7,9-11,13,15H,4,8H2,1-3H3;1H
InChIKey
LZUBTEDAWLMSJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.99
TPSA
29.1
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.46
Consensus LogP
3.32
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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