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CAS 778-09-6 N-Acetyl DeMethyl MeMantine molecular structure lightbox
CAS RN: 778-09-6

N-Acetyl DeMethyl MeMantine

  • Product code: SSC-187316
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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 778-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

778-09-6 / N-(3-methyl-1-adamantyl)acetamide

Standard CAS: 778-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
778-09-6
Multi CAS
Yes
Molecular Formula
C13H21NO
Molecular Weight
207.310000
Exact Mass
207.162314
InChI
InChI=1S/C13H21NO/c1-9(15)14-13-6-10-3-11(7-13)5-12(2,4-10)8-13/h10-11H,3-8H2,1-2H3,(H,14,15)
InChIKey
SANVSQCVSVDXSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.34
TPSA
29.1

LogP / Solubility

WLOGP
2.48
MLOGP
2.18
XLogP3
3.3
Consensus LogP
2.65
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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