CAS RN: 6623-41-2
2-AMINO-4,5-DIMETHYL-PHENOL
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS6623-41-2
- Purity/Analytical Methods: >99.0%
6623-41-2 / 2-amino-4,5-dimethylphenol
Basic Information
CAS
6623-41-2
Multi CAS
Yes
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-5-3-7(9)8(10)4-6(5)2/h3-4,10H,9H2,1-2H3
InChIKey
JEASLLCHQHBBGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.99
TPSA
46.25
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
Class (SILICOS-IT)
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)
-2.43
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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