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CAS 66380-03-8 2-(Methylamino)-2-(4-methylphenyl)acetic acid hydrochloride molecular structure lightbox
CAS RN: 66380-03-8

2-(Methylamino)-2-(4-methylphenyl)acetic acid hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS66380-03-8
  • Purity/Analytical Methods: >99.0%
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66380-03-8 / 2-(methylamino)-2-(4-methylphenyl)acetic acid;hydrochloride

Standard CAS: 66380-03-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66380-03-8
Multi CAS
No
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-7-3-5-8(6-4-7)9(11-2)10(12)13;/h3-6,9,11H,1-2H3,(H,12,13);1H
InChIKey
VCSCYZLFUOOBAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.86
TPSA
49.33

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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