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CAS 17735-65-8 1,2-bis(4-(oxiran-2-ylmethoxy)phenyl)disulfane molecular structure lightbox
CAS RN: 17735-65-8

1,2-bis(4-(oxiran-2-ylmethoxy)phenyl)disulfane

  • Product code: SSC-077516
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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: 0.25g
  • 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 17735-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

17735-65-8 / 2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]disulfanyl]phenoxy]methyl]oxirane

Standard CAS: 17735-65-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17735-65-8
Multi CAS
No
Molecular Formula
C18H18O4S2
Molecular Weight
362.500000
Exact Mass
362.064651
SMILES
C1C(O1)COC2=CC=C(C=C2)SSC3=CC=C(C=C3)OCC4CO4
InChI
InChI=1S/C18H18O4S2/c1-5-17(6-2-13(1)19-9-15-11-21-15)23-24-18-7-3-14(4-8-18)20-10-16-12-22-16/h1-8,15-16H,9-12H2
InChIKey
IDMBFRXGXNEYRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
95.07
TPSA
43.52

LogP / Solubility

WLOGP
4.04
MLOGP
3.58
XLogP3
3.4
Consensus LogP
3.67
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.45
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
Yes
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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