CAS RN: 2401-47-0
2-(4-chlorophenoxy)-N,N-dimethylethanamine
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.20260516 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2401-47-0
- Purity/Analytical Methods: >99.0%
2401-47-0 / 2-(4-chlorophenoxy)-N,N-dimethylethanamine
Basic Information
CAS
2401-47-0
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
CN(C)CCOC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H14ClNO/c1-12(2)7-8-13-10-5-3-9(11)4-6-10/h3-6H,7-8H2,1-2H3
InChIKey
KKPXBCIAUAJAHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
55.5
TPSA
12.47
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.6
Consensus LogP
2.3
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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