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CAS 17071-62-4 1,3-adamantanedimethanol molecular structure lightbox
CAS RN: 17071-62-4

1,3-adamantanedimethanol

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260513 10g Out of stock Inquiry
Batchno.20260217 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250614 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260116 5g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-075160
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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: 1g
  • 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 17071-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

17071-62-4 / [3-(hydroxymethyl)-1-adamantyl]methanol

Standard CAS: 17071-62-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17071-62-4
Multi CAS
No
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
SMILES
C1C2CC3(CC1CC(C2)(C3)CO)CO
InChI
InChI=1S/C12H20O2/c13-7-11-2-9-1-10(4-11)5-12(3-9,6-11)8-14/h9-10,13-14H,1-8H2
InChIKey
RABVYVVNRHVXPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.72
TPSA
40.46

LogP / Solubility

WLOGP
1.56
MLOGP
1.37
XLogP3
1.3
Consensus LogP
1.41
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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