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CAS 1194-44-1 Bicyclo[2.2.2]octane-1,4-diol molecular structure lightbox
CAS RN: 1194-44-1

Bicyclo[2.2.2]octane-1,4-diol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 100mg In stock Shanghai Inquiry
Batchno.20250916 1g In stock Shanghai Inquiry
Batchno.20250118 250mg In stock Shanghai Inquiry
Batchno.20260607 50mg In stock Shanghai Inquiry
  • Product code: SSC-019939
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 1194-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1194-44-1 / bicyclo[2.2.2]octane-1,4-diol

Bicyclo[2.2.2]octane-1,4-diol | 1,4-Dihydroxybicyclo[2.2.2]octane | DTXSID80339865

Standard CAS: 1194-44-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1194-44-1
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
C1CC2(CCC1(CC2)O)O
InChI
InChI=1S/C8H14O2/c9-7-1-2-8(10,5-3-7)6-4-7/h9-10H,1-6H2
InChIKey
BHSZKPHKWKSMKX-UHFFFAOYSA-N
Synonyms
Bicyclo[2.2.2]octane-1,4-diol 1,4-Dihydroxybicyclo[2.2.2]octane DTXSID80339865 BICYCLO(2.2.2)OCTANE-1,4-DIOL 1,4-Dihydroxybicyclo(2.2.2)octane

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.6
TPSA
40.46

LogP / Solubility

WLOGP
0.82
MLOGP
0.71
XLogP3
0.3
Consensus LogP
0.61
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
Class (SILICOS-IT)
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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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