[email protected]
CAS 51008-00-5 ETHYL (1-ETHOXYCARBONYLMETHYLCYCLOBUTYL)-ACETATE molecular structure lightbox
CAS RN: 51008-00-5

ETHYL (1-ETHOXYCARBONYLMETHYLCYCLOBUTYL)-ACETATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51008-00-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

51008-00-5 / ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate

Standard CAS: 51008-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51008-00-5
Multi CAS
No
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
InChI
InChI=1S/C12H20O4/c1-3-15-10(13)8-12(6-5-7-12)9-11(14)16-4-2/h3-9H2,1-2H3
InChIKey
MBAAFUHPVJVWIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
58.78
TPSA
52.6

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.58
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)
-2.65

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us