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CAS 37510-29-5 (1-HYDROXY-2-OXO-2-PHENYLETHYL)THIO]ACETIC ACID molecular structure lightbox
CAS RN: 37510-29-5

(1-HYDROXY-2-OXO-2-PHENYLETHYL)THIO]ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS37510-29-5
  • Purity/Analytical Methods: >99.0%
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37510-29-5 / 2-(1-hydroxy-2-oxo-2-phenylethyl)sulfanylacetic acid

Standard CAS: 37510-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37510-29-5
Multi CAS
No
Molecular Formula
C10H10O4S
Molecular Weight
226.250000
Exact Mass
226.029980
InChI
InChI=1S/C10H10O4S/c11-8(12)6-15-10(14)9(13)7-4-2-1-3-5-7/h1-5,10,14H,6H2,(H,11,12)
InChIKey
PXMFTQGDYRMEFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.87
TPSA
74.6

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.3
Consensus LogP
1.07
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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