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CAS 21624-07-7 3-(1-adamantyloxy)propan-1-amine molecular structure lightbox
CAS RN: 21624-07-7

3-(1-adamantyloxy)propan-1-amine

  • Product code: SSC-103626
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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: ≥95%
  • 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 21624-07-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

21624-07-7 / 3-(1-adamantyloxy)propan-1-amine

Standard CAS: 21624-07-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21624-07-7
Multi CAS
No
Molecular Formula
C13H23NO
Molecular Weight
209.330000
Exact Mass
209.177964
SMILES
C1C2CC3CC1CC(C2)(C3)OCCCN
InChI
InChI=1S/C13H23NO/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2
InChIKey
QSOSBDGGTOQGBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.53
TPSA
35.25

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.19
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
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)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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