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CAS 27144-18-9 S-TRITYL-3-MERCAPTOPROPIONIC ACID molecular structure lightbox
CAS RN: 27144-18-9

S-TRITYL-3-MERCAPTOPROPIONIC ACID

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100g In stock Inquiry
Batchno.20250905 10g In stock Inquiry
Batchno.20260222 25g In stock Inquiry
Batchno.20260306 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 5g / 25g / 100g / 250g Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251205 10g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250607 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250615 1kg In stock Shanghai Inquiry
Batchno.20251211 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260226 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250120 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-125962
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27144-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

27144-18-9 / 3-tritylsulfanylpropanoic acid

Standard CAS: 27144-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27144-18-9
Multi CAS
No
Molecular Formula
C22H20O2S
Molecular Weight
348.500000
Exact Mass
348.118401
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCC(=O)O
InChI
InChI=1S/C22H20O2S/c23-21(24)16-17-25-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,23,24)
InChIKey
AECGEIVNZGQBJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
103.92
TPSA
37.3

LogP / Solubility

WLOGP
5.19
MLOGP
4.58
XLogP3
5
Consensus LogP
4.92
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.07
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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