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CAS 134870-62-5 (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine molecular structure lightbox
CAS RN: 134870-62-5

(S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine

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Batchno.20250228 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS134870-62-5
  • Purity/Analytical Methods: >99.0%
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134870-62-5 / (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine

Standard CAS: 134870-62-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134870-62-5
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CCOC1=N[C@H](C(=NC1)OCC)C(C)C
InChI
InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m0/s1
InChIKey
HRAZLOIRFUQOPL-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
61.62
TPSA
43.18

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
2.1
Consensus LogP
1.89
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-2.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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