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CAS 708274-37-7 8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol molecular structure lightbox
CAS RN: 708274-37-7

8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

  • Product code: SSC-180550
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 0.1g, 0.25g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 708274-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
25g ≥95% 1 In Stock Hong Kong Inquiry

708274-37-7 / 8-(5-bromo-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-ol

Standard CAS: 708274-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
708274-37-7
Multi CAS
No
Molecular Formula
BC13H16O3Rn
Molecular Weight
314.170000
Exact Mass
313.031360
InChI
InChI=1S/C13H16BrNO3/c14-10-1-2-11(15-9-10)12(16)3-5-13(6-4-12)17-7-8-18-13/h1-2,9,16H,3-8H2
InChIKey
LMXWFQPXVACYFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.94
TPSA
51.58

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
1.2
Consensus LogP
1.88
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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