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CAS 88806-98-8 (R)-METHYL 2-AMINO-3-MERCAPTOPROPANOATE molecular structure lightbox
CAS RN: 88806-98-8

(R)-METHYL 2-AMINO-3-MERCAPTOPROPANOATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250713 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS88806-98-8
  • Purity/Analytical Methods: >99.0%
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88806-98-8 / methyl 2-amino-3-sulfanylpropanoate

Standard CAS: 88806-98-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88806-98-8
Multi CAS
Yes
Molecular Formula
C4H9NO2S
Molecular Weight
135.190000
Exact Mass
135.035400
InChI
InChI=1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m1/s1
InChIKey
MCYHPZGUONZRGO-GSVOUGTGSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
33.84
TPSA
52.32

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.52
XLogP3
-0.5
Consensus LogP
-0.53
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.96

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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