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CAS 88831-43-0 3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 88831-43-0

3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88831-43-0
  • Purity/Analytical Methods: >99.0%
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88831-43-0 / methyl 3-amino-3-phenylpropanoate;hydrochloride

Standard CAS: 88831-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88831-43-0
Multi CAS
Yes
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-13-10(12)7-9(11)8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3;1H
InChIKey
GYKTZBZYSKZYDB-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
3
H-bond donors
1
Molar refractivity
57.25
TPSA
52.32

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.85

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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