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CAS 96646-27-4 2-METHYL-DL-TYROSINE molecular structure lightbox
CAS RN: 96646-27-4

2-METHYL-DL-TYROSINE

  • Product code: SSC-212077
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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 96646-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

96646-27-4 / (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoic acid

Standard CAS: 96646-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96646-27-4
Multi CAS
Yes
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c1-6-4-8(12)3-2-7(6)5-9(11)10(13)14/h2-4,9,12H,5,11H2,1H3,(H,13,14)
InChIKey
AXEOMQHKTSGLGS-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
3
Molar refractivity
52.16
TPSA
83.55

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
-1.4
Consensus LogP
-0.05
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

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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