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CAS 5001-18-3 1,3-Adamantanediol molecular structure lightbox
CAS RN: 5001-18-3

1,3-Adamantanediol

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100g In stock Inquiry
Batchno.20250727 25g In stock Inquiry
Batchno.20260201 500g Out of stock Inquiry
Batchno.20250403 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251029 100g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260624 1kg In stock Shanghai Inquiry
Batchno.20260307 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260318 500g In stock Shanghai Inquiry
Batchno.20260520 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-156321
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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: 25g, 100g
  • 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 5001-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

5001-18-3 / adamantane-1,3-diol

Standard CAS: 5001-18-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5001-18-3
Multi CAS
Yes
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2
InChIKey
MOLCWHCSXCKHAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.58
TPSA
40.46

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.8
Consensus LogP
0.93
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.99

Drug-likeness / Medicinal Chemistry

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

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