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CAS 83249-09-6 Methyl-3-phenylbicyclo[1.1.1]pentane-1-carboxylate molecular structure lightbox
CAS RN: 83249-09-6

Methyl-3-phenylbicyclo[1.1.1]pentane-1-carboxylate

  • Product code: SSC-191130
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 83249-09-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

83249-09-6 / methyl 3-phenylbicyclo[1.1.1]pentane-1-carboxylate

Standard CAS: 83249-09-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83249-09-6
Multi CAS
No
Molecular Formula
C13H14O2
Molecular Weight
202.250000
Exact Mass
202.099380
InChI
InChI=1S/C13H14O2/c1-15-11(14)13-7-12(8-13,9-13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
RXQCXJUDDTUYLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.42
TPSA
26.3

LogP / Solubility

WLOGP
2.28
MLOGP
2.01
XLogP3
2.3
Consensus LogP
2.2
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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