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CAS 128756-71-8 2-ADAMANTYL ACRYLATE molecular structure lightbox
CAS RN: 128756-71-8

2-ADAMANTYL ACRYLATE

  • Product code: SSC-035941
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 128756-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Shanghai Inquiry

128756-71-8 / 2-adamantyl prop-2-enoate

Standard CAS: 128756-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128756-71-8
Multi CAS
No
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
SMILES
C=CC(=O)OC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h2,8-11,13H,1,3-7H2
InChIKey
NCJGJDNWSHATQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.12
TPSA
26.3

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
3.1
Consensus LogP
2.63
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.17

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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