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CAS 22504-50-3 Ethylene Glycol Bis(3-mercaptopropionate) (Purified) molecular structure lightbox
CAS RN: 22504-50-3

Ethylene Glycol Bis(3-mercaptopropionate) (Purified)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250411 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250224 500g In stock Shandong, Guangdong Inquiry
Batchno.20260223 5g In stock Shanghai, Shandong Inquiry
  • Product code: ICTE1329
  • Purity/Analytical Methods: >98.0%(T)
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22504-50-3 / 2-(3-sulfanylpropanoyloxy)ethyl 3-sulfanylpropanoate

Standard CAS: 22504-50-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22504-50-3
Multi CAS
No
Molecular Formula
C8H14O4S2
Molecular Weight
238.300000
Exact Mass
238.033351
SMILES
C(CS)C(=O)OCCOC(=O)CCS
InChI
InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2
InChIKey
HAQZWTGSNCDKTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
58.86
TPSA
52.6

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.5
Consensus LogP
0.61
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.67

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
1.5

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