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CAS 279218-76-7 1-(1-Adamantyl)-1-methylethyl methacrylate molecular structure lightbox
CAS RN: 279218-76-7

1-(1-Adamantyl)-1-methylethyl methacrylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 1g In stock Shanghai Inquiry
  • Product code: SSC-128394
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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 279218-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

279218-76-7 / 2-(1-adamantyl)propan-2-yl 2-methylprop-2-enoate

Standard CAS: 279218-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
279218-76-7
Multi CAS
No
Molecular Formula
C17H26O2
Molecular Weight
262.400000
Exact Mass
262.193280
SMILES
CC(=C)C(=O)OC(C)(C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H26O2/c1-11(2)15(18)19-16(3,4)17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1,5-10H2,2-4H3
InChIKey
WLZMKZGLQVILBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.82
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.59
TPSA
26.3

LogP / Solubility

WLOGP
4.1
MLOGP
3.62
XLogP3
4.6
Consensus LogP
4.11
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41

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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