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CAS 150188-64-0 (3-DIMETHYLAMINO-PHENOXY)-ACETIC ACID molecular structure lightbox
CAS RN: 150188-64-0

(3-DIMETHYLAMINO-PHENOXY)-ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS150188-64-0
  • Purity/Analytical Methods: >99.0%
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150188-64-0 / 2-[3-(dimethylamino)phenoxy]acetic acid

Standard CAS: 150188-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150188-64-0
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
CN(C)C1=CC(=CC=C1)OCC(=O)O
InChI
InChI=1S/C10H13NO3/c1-11(2)8-4-3-5-9(6-8)14-7-10(12)13/h3-6H,7H2,1-2H3,(H,12,13)
InChIKey
HGLBGFSZQOWANY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.9
TPSA
49.77

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
1.7
Consensus LogP
1.33
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.05

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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