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CAS 923-17-1 (S)-2-(((S)-2-Hydroxypropanoyl)oxy)propanoic acid molecular structure lightbox
CAS RN: 923-17-1

(S)-2-(((S)-2-Hydroxypropanoyl)oxy)propanoic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
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923-17-1 / (2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid

S,S-lactyllactic acid | Lactic acid lactate, L- | L-Lactic acid dimer

Standard CAS: 923-17-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
923-17-1
Multi CAS
Yes
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
SMILES
CC(C(=O)OC(C)C(=O)O)O
InChI
InChI=1S/C6H10O5/c1-3(7)6(10)11-4(2)5(8)9/h3-4,7H,1-2H3,(H,8,9)/t3-,4-/m0/s1
InChIKey
OZZQHCBFUVFZGT-IMJSIDKUSA-N
Synonyms
S,S-lactyllactic acid Lactic acid lactate, L- L-Lactic acid dimer L-Lactyl-L-lactic acid 26T86KT372

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.87
TPSA
83.83

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.55
XLogP3
-0.1
Consensus LogP
-0.42
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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