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CAS 515028-39-4 L-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 515028-39-4

L-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS515028-39-4
  • Purity/Analytical Methods: >99.0%
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515028-39-4 / methyl 2-anilinoacetate;hydrochloride

Standard CAS: 515028-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
515028-39-4
Multi CAS
Yes
Molecular Formula
C9H12CLNO2
Molecular Weight
201.650000
Exact Mass
201.055656
InChI
InChI=1S/C9H11NO2.ClH/c1-12-9(11)7-10-8-5-3-2-4-6-8;/h2-6,10H,7H2,1H3;1H
InChIKey
AJHZGVMKIXHMNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.2
TPSA
38.33

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.69
Consensus LogP
1.62
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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