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CAS 5888-36-8 Bicyclo[2.2.1]heptane-2,5-diol molecular structure lightbox
CAS RN: 5888-36-8

Bicyclo[2.2.1]heptane-2,5-diol

  • Product code: SSC-167218
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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, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 5888-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 4 In Stock Shanghai Inquiry
10g >95% 2 In Stock Shanghai Inquiry

5888-36-8 / bicyclo[2.2.1]heptane-2,5-diol

Standard CAS: 5888-36-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5888-36-8
Multi CAS
Yes
Molecular Formula
C7H12O2
Molecular Weight
128.170000
Exact Mass
128.083730
InChI
InChI=1S/C7H12O2/c8-6-2-4-1-5(6)3-7(4)9/h4-9H,1-3H2
InChIKey
YHUQPGPXJUVMNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.84
TPSA
40.46

LogP / Solubility

WLOGP
0.14
MLOGP
0.11
XLogP3
0.1
Consensus LogP
0.12
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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