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CAS 535-32-0 D-ETHIONINE molecular structure lightbox
CAS RN: 535-32-0

D-ETHIONINE

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Batchno.20250426 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS535-32-0
  • Purity/Analytical Methods: >99.0%
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535-32-0 / 2-amino-4-ethylsulfanylbutanoic acid

Standard CAS: 535-32-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
535-32-0
Multi CAS
Yes
Molecular Formula
C6H13NO2S
Molecular Weight
163.240000
Exact Mass
163.066700
InChI
InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKey
GGLZPLKKBSSKCX-UHFFFAOYSA-N

Physical Properties

Melting Point
516 to 523 °F (decomposes) (NTP, 1992)
Physical Description
Dl-ethionine is a white crystalline flakes. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.23
TPSA
63.32

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
-1.5
Consensus LogP
-0.16
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
Class (SILICOS-IT)
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)
-3.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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