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CAS 603940-93-8 DL-2-(3-METHYLTHIENYL)ALANINE molecular structure lightbox
CAS RN: 603940-93-8

DL-2-(3-METHYLTHIENYL)ALANINE

  • Product code: SSC-168960
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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 603940-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

603940-93-8 / 2-amino-3-(3-methylthiophen-2-yl)propanoic acid

Standard CAS: 603940-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
603940-93-8
Multi CAS
No
Molecular Formula
C8H11NO2S
Molecular Weight
185.250000
Exact Mass
185.051050
InChI
InChI=1S/C8H11NO2S/c1-5-2-3-12-7(5)4-6(9)8(10)11/h2-3,6H,4,9H2,1H3,(H,10,11)
InChIKey
KGATZGKFEJXZOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.37
TPSA
63.32

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
-1.3
Consensus LogP
0.2
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-3.13

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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