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CAS 1170600-77-7 Pyridine, 2-[[[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]- molecular structure lightbox
CAS RN: 1170600-77-7

Pyridine, 2-[[[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250103 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-016884
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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: ＞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 1170600-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

1170600-77-7 / 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole

2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-5-((pyridin-2-ylmethyl)thio)-1,3,4-oxadiazole | F0594-3046 | 2-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)-5-[(pyridin-2-ylmethyl)thio]-1,3,4-oxadiazole

Standard CAS: 1170600-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1170600-77-7
Multi CAS
No
Molecular Formula
C16H13N3O3S
Molecular Weight
327.400000
Exact Mass
327.067762
SMILES
C1C(OC2=CC=CC=C2O1)C3=NN=C(O3)SCC4=CC=CC=N4
InChI
InChI=1S/C16H13N3O3S/c1-2-7-13-12(6-1)20-9-14(21-13)15-18-19-16(22-15)23-10-11-5-3-4-8-17-11/h1-8,14H,9-10H2
InChIKey
PDLBXGMZPWLRPG-UHFFFAOYSA-N
Synonyms
2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-5-((pyridin-2-ylmethyl)thio)-1,3,4-oxadiazole F0594-3046 2-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)-5-[(pyridin-2-ylmethyl)thio]-1,3,4-oxadiazole 2-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)pyridine SCHEMBL22825230

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
17
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
83.4
TPSA
70.27

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
2.3
Consensus LogP
2.82
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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