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CAS 1149760-04-2 2-Propenoic acid, 2-methyl-, 1-(1-methylethyl)cyclopentyl ester molecular structure lightbox
CAS RN: 1149760-04-2

2-Propenoic acid, 2-methyl-, 1-(1-methylethyl)cyclopentyl ester

  • Product code: SSC-014667
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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 1149760-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1149760-04-2 / (1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

2-Propenoic acid, 2-methyl-, 1-(1-methylethyl)cyclopentyl ester | 1-isopropylcyclopentyl methacrylate | MFCD31714990

Standard CAS: 1149760-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1149760-04-2
Multi CAS
No
Molecular Formula
C12H20O2
Molecular Weight
196.290000
Exact Mass
196.146330
SMILES
CC(C)C1(CCCC1)OC(=O)C(=C)C
InChI
InChI=1S/C12H20O2/c1-9(2)11(13)14-12(10(3)4)7-5-6-8-12/h10H,1,5-8H2,2-4H3
InChIKey
GPXHHBYETPIZOU-UHFFFAOYSA-N
Synonyms
2-Propenoic acid, 2-methyl-, 1-(1-methylethyl)cyclopentyl ester 1-isopropylcyclopentyl methacrylate MFCD31714990 1-(1-Methylethyl)cyclopentyl 2-methyl-2-propenoate (1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
56.94
TPSA
26.3

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
3.5
Consensus LogP
3.09
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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