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CAS 5616-81-9 tert-Butyl sarcosinate hydrochloride molecular structure lightbox
CAS RN: 5616-81-9

tert-Butyl sarcosinate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS5616-81-9
  • Purity/Analytical Methods: >99.0%
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5616-81-9 / tert-butyl 2-(methylamino)acetate

Standard CAS: 5616-81-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5616-81-9
Multi CAS
Yes
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)5-8-4/h8H,5H2,1-4H3
InChIKey
MYKMOIQAHCMLIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.77
TPSA
38.33

LogP / Solubility

WLOGP
0.55
MLOGP
0.48
XLogP3
0.7
Consensus LogP
0.58
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
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)
-3.22

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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