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CAS 1260610-36-3 2-Methyl-L-homophenylalanine molecular structure lightbox
CAS RN: 1260610-36-3

2-Methyl-L-homophenylalanine

  • Product code: SSC-031686
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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 1260610-36-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1260610-36-3 / (2S)-2-amino-4-(2-methylphenyl)butanoic acid

Standard CAS: 1260610-36-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260610-36-3
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
CC1=CC=CC=C1CC[C@@H](C(=O)O)N
InChI
InChI=1S/C11H15NO2/c1-8-4-2-3-5-9(8)6-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
UIINSJBTFLRMLY-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.11
TPSA
63.32

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
-0.8
Consensus LogP
0.57
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.95

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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