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CAS 849022-29-3 N-BOC-1-METHYLCYCLOPROPANE-1-SULFONAMIDE molecular structure lightbox
CAS RN: 849022-29-3

N-BOC-1-METHYLCYCLOPROPANE-1-SULFONAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS849022-29-3
  • Purity/Analytical Methods: >99.0%
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849022-29-3 / tert-butyl N-(1-methylcyclopropyl)sulfonylcarbamate

Standard CAS: 849022-29-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
849022-29-3
Multi CAS
No
Molecular Formula
C9H17NO4S
Molecular Weight
235.300000
Exact Mass
235.087829
InChI
InChI=1S/C9H17NO4S/c1-8(2,3)14-7(11)10-15(12,13)9(4)5-6-9/h5-6H2,1-4H3,(H,10,11)
InChIKey
BFMJHMKIHKLBET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.93
TPSA
72.47

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.2
Consensus LogP
1.27
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.17

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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