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CAS 600730-11-8 18-mercaptooctadecanoic acid molecular structure lightbox
CAS RN: 600730-11-8

18-mercaptooctadecanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-168657
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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: 1g
  • 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 600730-11-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

600730-11-8 / 18-sulfanyloctadecanoic acid

Standard CAS: 600730-11-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
600730-11-8
Multi CAS
No
Molecular Formula
C18H36O2S
Molecular Weight
316.500000
Exact Mass
316.243602
InChI
InChI=1S/C18H36O2S/c19-18(20)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21/h21H,1-17H2,(H,19,20)
InChIKey
FTGROEQKMLQQEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95.36
TPSA
37.3

LogP / Solubility

WLOGP
6.24
MLOGP
5.51
XLogP3
6.3
Consensus LogP
6.02
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.22

Drug-likeness / Medicinal Chemistry

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

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