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CAS 14031-88-0 (S)-O-Acetyllactic acid Methyl Ester molecular structure lightbox
CAS RN: 14031-88-0

(S)-O-Acetyllactic acid Methyl Ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS14031-88-0
  • Purity/Analytical Methods: >99.0%
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14031-88-0 / methyl (2S)-2-acetyloxypropanoate

Standard CAS: 14031-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14031-88-0
Multi CAS
No
Molecular Formula
C6H10O4
Molecular Weight
146.140000
Exact Mass
146.057909
SMILES
C[C@@H](C(=O)OC)OC(=O)C
InChI
InChI=1S/C6H10O4/c1-4(6(8)9-3)10-5(2)7/h4H,1-3H3/t4-/m0/s1
InChIKey
QTFFGYLLUHQSAS-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
33.24
TPSA
52.6

LogP / Solubility

WLOGP
0.11
MLOGP
0.09
XLogP3
0.4
Consensus LogP
0.2
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.53

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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