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CAS 27784-32-3 ETHYL 2-(1-HYDROXYCYCLOBUTYL)ACETATE molecular structure lightbox
CAS RN: 27784-32-3

ETHYL 2-(1-HYDROXYCYCLOBUTYL)ACETATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27784-32-3
  • Purity/Analytical Methods: >99.0%
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27784-32-3 / ethyl 2-(1-hydroxycyclobutyl)acetate

Standard CAS: 27784-32-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27784-32-3
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
CCOC(=O)CC1(CCC1)O
InChI
InChI=1S/C8H14O3/c1-2-11-7(9)6-8(10)4-3-5-8/h10H,2-6H2,1H3
InChIKey
MVBVPQPEBUXGLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.05
TPSA
46.53

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
1
Consensus LogP
0.87
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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