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CAS 1392804-89-5 tert-Butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate molecular structure lightbox
CAS RN: 1392804-89-5

tert-Butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1392804-89-5
  • Purity/Analytical Methods: >99.0%
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1392804-89-5 / tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate

Standard CAS: 1392804-89-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392804-89-5
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C)(C)OC(=O)N(C)C1CC(C1)O
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7-8,12H,5-6H2,1-4H3
InChIKey
AWAUKBRXWGIKJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.03
TPSA
49.77

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.97

Drug-likeness / Medicinal Chemistry

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

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