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CAS 66866-67-9 N-METHYL-L-PHENYLALANINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 66866-67-9

N-METHYL-L-PHENYLALANINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS66866-67-9
  • Purity/Analytical Methods: >99.0%
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66866-67-9 / (2S)-2-(methylamino)-3-phenylpropanoic acid;hydrochloride

Standard CAS: 66866-67-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66866-67-9
Multi CAS
Yes
Molecular Formula
C10H14CLNO2
Molecular Weight
215.670000
Exact Mass
215.071306
InChI
InChI=1S/C10H13NO2.ClH/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;/h2-6,9,11H,7H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKey
DFQSBSADGQZNFW-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.88
TPSA
49.33

LogP / Solubility

WLOGP
1.32
MLOGP
1.17
XLogP3
1.32
Consensus LogP
1.27
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.1

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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