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CAS 75434-63-8 Tetrahydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate molecular structure lightbox
CAS RN: 75434-63-8

Tetrahydro-2H-pyran-2-ylmethyl 4-methylbenzenesulfonate

  • Product code: SSC-184903
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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: 5g
  • Available purity: ≥95%
  • 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 75434-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

75434-63-8 / oxan-2-ylmethyl 4-methylbenzenesulfonate

Standard CAS: 75434-63-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75434-63-8
Multi CAS
Yes
Molecular Formula
C13H18O4S
Molecular Weight
270.350000
Exact Mass
270.092580
InChI
InChI=1S/C13H18O4S/c1-11-5-7-13(8-6-11)18(14,15)17-10-12-4-2-3-9-16-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey
YNBDZQRMEDQOQM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.91
TPSA
52.6

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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