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CAS 80441-55-0 6-Tritylmercapto-hexanoic acid molecular structure lightbox
CAS RN: 80441-55-0

6-Tritylmercapto-hexanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-189278
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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: 0.1g, 0.25g, 1g, 5g
  • 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 80441-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

80441-55-0 / 6-tritylsulfanylhexanoic acid

Standard CAS: 80441-55-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80441-55-0
Multi CAS
No
Molecular Formula
C25H26O2S
Molecular Weight
390.500000
Exact Mass
390.165351
InChI
InChI=1S/C25H26O2S/c26-24(27)19-11-4-12-20-28-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2,(H,26,27)
InChIKey
ILAPAFBLFPIIBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
117.77
TPSA
37.3

LogP / Solubility

WLOGP
6.36
MLOGP
5.62
XLogP3
6.1
Consensus LogP
6.03
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.59

Drug-likeness / Medicinal Chemistry

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

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