[email protected]
CAS 1219805-53-4 1-Aminoadamantane-2,2,2′,2′,2″,2″-d6 molecular structure lightbox
CAS RN: 1219805-53-4

1-Aminoadamantane-2,2,2′,2′,2″,2″-d6

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 1ml Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260424 1mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-024829
GET A QUOTE
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: 0.001g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1219805-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Hong Kong Inquiry

1219805-53-4 / 2,2,8,8,9,9-hexadeuterioadamantan-1-amine

Standard CAS: 1219805-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219805-53-4
Multi CAS
No
Molecular Formula
C10H17N
Molecular Weight
157.290000
Exact Mass
157.173760
SMILES
[2H]C1(C2CC3CC(C2)C(C1(C3([2H])[2H])N)([2H])[2H])[2H]
InChI
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i4D2,5D2,6D2
InChIKey
DKNWSYNQZKUICI-KETLRHEYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.09
TPSA
26.02

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.4
Consensus LogP
2
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us