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CAS 63547-22-8 (Benzhydrylthio)acetic Acid molecular structure lightbox
CAS RN: 63547-22-8

(Benzhydrylthio)acetic Acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 25g / 100g / 500g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: SSC-173251
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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 63547-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

63547-22-8 / 2-benzhydrylsulfanylacetic acid

Standard CAS: 63547-22-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63547-22-8
Multi CAS
Yes
Molecular Formula
C15H14O2S
Molecular Weight
258.300000
Exact Mass
258.071451
InChI
InChI=1S/C15H14O2S/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
InChIKey
HTHFEDOFDBZPRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.82
TPSA
37.3

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
3.7
Consensus LogP
3.49
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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