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CAS 752198-38-2 (R)-3-Amino-3-(o-tolyl)propanoic acid molecular structure lightbox
CAS RN: 752198-38-2

(R)-3-Amino-3-(o-tolyl)propanoic acid

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251103 100mg Out of stock Inquiry
Batchno.20250712 250mg Out of stock Inquiry
  • Product code: LINR893490
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752198-38-2 / (3R)-3-amino-3-(2-methylphenyl)propanoic acid

Standard CAS: 752198-38-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
752198-38-2
Multi CAS
Yes
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey
GORGZFRGYDIRJA-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.36
TPSA
63.32

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
-1.6
Consensus LogP
0.39
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-2.77

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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