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CAS 917342-28-0 CarbaMic acid, N-[trans-4-[2-[(Methylsulfonyl)oxy]ethyl]cyclohexyl]-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 917342-28-0

CarbaMic acid, N-[trans-4-[2-[(Methylsulfonyl)oxy]ethyl]cyclohexyl]-, 1,1-diMethylethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS917342-28-0
  • Purity/Analytical Methods: >99.0%
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917342-28-0 / 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethyl methanesulfonate

Standard CAS: 917342-28-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
917342-28-0
Multi CAS
Yes
Molecular Formula
C14H27NO5S
Molecular Weight
321.440000
Exact Mass
321.160994
InChI
InChI=1S/C14H27NO5S/c1-14(2,3)20-13(16)15-12-7-5-11(6-8-12)9-10-19-21(4,17)18/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKey
VJAZODDQBCCEBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
80.53
TPSA
81.7

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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