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CAS 915719-88-9 (S)-Methyl 5-(Methylthio)-3,4-Dihydro-2H-Pyrrole-2-Carboxylate molecular structure lightbox
CAS RN: 915719-88-9

(S)-Methyl 5-(Methylthio)-3,4-Dihydro-2H-Pyrrole-2-Carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS915719-88-9
  • Purity/Analytical Methods: >99.0%
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915719-88-9 / methyl (2S)-5-methylsulfanyl-3,4-dihydro-2H-pyrrole-2-carboxylate

Standard CAS: 915719-88-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915719-88-9
Multi CAS
Yes
Molecular Formula
C7H11NO2S
Molecular Weight
173.240000
Exact Mass
173.051050
InChI
InChI=1S/C7H11NO2S/c1-10-7(9)5-3-4-6(8-5)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
OINICFXBUAEVSI-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
45.99
TPSA
38.66

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
0.8
Consensus LogP
0.94
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.01

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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