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CAS 37062-61-6 1-[4-(HEPTYLOXY)PHENYL]ETHANONE molecular structure lightbox
CAS RN: 37062-61-6

1-[4-(HEPTYLOXY)PHENYL]ETHANONE

  • Product code: SSC-144352
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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: 3
  • 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 37062-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

37062-61-6 / 1-(4-heptoxyphenyl)ethanone

Standard CAS: 37062-61-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37062-61-6
Multi CAS
Yes
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
InChI
InChI=1S/C15H22O2/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h8-11H,3-7,12H2,1-2H3
InChIKey
IHSRWPYWJCRGFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
70.7
TPSA
26.3

LogP / Solubility

WLOGP
4.24
MLOGP
3.73
XLogP3
4.6
Consensus LogP
4.19
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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)
-1.14

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
1.5

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