CAS RN: 25338-55-0
DIMETHYLAMINOMETHYLPHENOL
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260619 | 25ml | In stock | Inquiry |
- Product code: starshine_CAS25338-55-0
- Purity/Analytical Methods: >99.0%
25338-55-0 / 4-[(dimethylamino)methyl]phenol
Basic Information
CAS
25338-55-0
Multi CAS
No
Molecular Formula
C9H13NO
Molecular Weight
151.210000
Exact Mass
151.099714
SMILES
CN(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C9H13NO/c1-10(2)7-8-3-5-9(11)6-4-8/h3-6,11H,7H2,1-2H3
InChIKey
NFVPEIKDMMISQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.5
TPSA
23.47
LogP / Solubility
WLOGP
1.45
MLOGP
1.27
XLogP3
1
Consensus LogP
1.24
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-2.61
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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