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CAS 85608-16-8 TERT-BUTYL 3-(DIETHYLAMINO)PROPANOATE molecular structure lightbox
CAS RN: 85608-16-8

TERT-BUTYL 3-(DIETHYLAMINO)PROPANOATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260413 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85608-16-8
  • Purity/Analytical Methods: >99.0%
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85608-16-8 / tert-butyl 3-(diethylamino)propanoate

Standard CAS: 85608-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85608-16-8
Multi CAS
No
Molecular Formula
C11H23NO2
Molecular Weight
201.310000
Exact Mass
201.172879
InChI
InChI=1S/C11H23NO2/c1-6-12(7-2)9-8-10(13)14-11(3,4)5/h6-9H2,1-5H3
InChIKey
RMYJWSAOABPIEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
58.25
TPSA
29.54

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.49

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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