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CAS 17768-28-4 1,3-Adamantanediacetic Acid molecular structure lightbox
CAS RN: 17768-28-4

1,3-Adamantanediacetic Acid

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250724 1g In stock Inquiry
Batchno.20250201 25g Out of stock Inquiry
Batchno.20250911 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 10g In stock Shanghai Inquiry
Batchno.20250614 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250510 250mg In stock Shanghai Inquiry
Batchno.20251017 25g In stock Shanghai Inquiry
Batchno.20260126 5g In stock Shanghai Inquiry
  • Product code: SSC-077670
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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: 5g
  • Available purity: ≥96%
  • 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 17768-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

17768-28-4 / 2-[3-(carboxymethyl)-1-adamantyl]acetic acid

Standard CAS: 17768-28-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17768-28-4
Multi CAS
No
Molecular Formula
C14H20O4
Molecular Weight
252.310000
Exact Mass
252.136159
SMILES
C1C2CC3(CC1CC(C2)(C3)CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKey
UTENGZNBNPABQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.05
TPSA
74.6

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.5
Consensus LogP
2.42
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly 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)
-2.47

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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