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CAS 1213324-51-6 2-Methyl-L-phenylalanine methyl ester HCl molecular structure lightbox
CAS RN: 1213324-51-6

2-Methyl-L-phenylalanine methyl ester HCl

  • Product code: SSC-023304
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1213324-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1213324-51-6 / methyl (2S)-2-amino-3-(2-methylphenyl)propanoate

(S)-Methyl 2-amino-3-(o-tolyl)propanoate | METHYL (2S)-2-AMINO-3-(2-METHYLPHENYL)PROPANOATE | MFCD08058210

Standard CAS: 1213324-51-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213324-51-6
Multi CAS
Yes
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CC1=CC=CC=C1C[C@@H](C(=O)OC)N
InChI
InChI=1S/C11H15NO2/c1-8-5-3-4-6-9(8)7-10(12)11(13)14-2/h3-6,10H,7,12H2,1-2H3/t10-/m0/s1
InChIKey
KXWBUUKZTWGWCG-JTQLQIEISA-N
Synonyms
(S)-Methyl 2-amino-3-(o-tolyl)propanoate METHYL (2S)-2-AMINO-3-(2-METHYLPHENYL)PROPANOATE MFCD08058210 BS-30296 (S)-Methyl2-amino-3-(o-tolyl)propanoate

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.87
TPSA
52.32

LogP / Solubility

WLOGP
1.04
MLOGP
0.91
XLogP3
1.6
Consensus LogP
1.18
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
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)
-3.16

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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