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CAS 107635-11-0 Methylamino-phenyl-acetic acid methyl ester molecular structure lightbox
CAS RN: 107635-11-0

Methylamino-phenyl-acetic acid methyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS107635-11-0
  • Purity/Analytical Methods: >99.0%
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107635-11-0 / methyl 2-(methylamino)-2-phenylacetate

methyl 2-(methylamino)-2-phenylacetate | Methyl 2-methylamino-2-phenylacetate | MFCD12148297

Standard CAS: 107635-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107635-11-0
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
SMILES
CNC(C1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C10H13NO2/c1-11-9(10(12)13-2)8-6-4-3-5-7-8/h3-7,9,11H,1-2H3
InChIKey
MAQULIULLOBHGK-UHFFFAOYSA-N
Synonyms
methyl 2-(methylamino)-2-phenylacetate Methyl 2-methylamino-2-phenylacetate MFCD12148297 Methyl Methyamino-phenylacetate methyl methylamino-phenylacetate

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.26
TPSA
38.33

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.4
Consensus LogP
1.17
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
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)
-3.02

Drug-likeness / Medicinal Chemistry

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

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