[email protected]
CAS 75275-66-0 ETHYL 3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-3-OXOPROPANOATE molecular structure lightbox
CAS RN: 75275-66-0

ETHYL 3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-3-OXOPROPANOATE

  • Product code: SSC-184734
GET A QUOTE
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: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 75275-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Beijing Inquiry

75275-66-0 / ethyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-oxopropanoate

Standard CAS: 75275-66-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75275-66-0
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-2-15-12(14)7-11(13)10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3
InChIKey
PSCLUTSXIATCHE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
55.1
TPSA
43.37

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.77

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
5

Customers Also Viewed

Get In Touch

Contact Us