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CAS 365997-36-0 (1s,3r,4r)-3-[(tert-butoxycarbonyl)amino]-4-[(methylsulfonyl)oxy]cyclohexanecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 365997-36-0

(1s,3r,4r)-3-[(tert-butoxycarbonyl)amino]-4-[(methylsulfonyl)oxy]cyclohexanecarboxylic acid ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250531 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS365997-36-0
  • Purity/Analytical Methods: >99.0%
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365997-36-0 / ethyl (1R,3S,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxycyclohexane-1-carboxylate

Standard CAS: 365997-36-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
365997-36-0
Multi CAS
Yes
Molecular Formula
C15H27NO7S
Molecular Weight
365.400000
Exact Mass
365.150823
InChI
InChI=1S/C15H27NO7S/c1-6-21-13(17)10-7-8-12(23-24(5,19)20)11(9-10)16-14(18)22-15(2,3)4/h10-12H,6-9H2,1-5H3,(H,16,18)/t10-,11+,12+/m0/s1
InChIKey
REERHKRKNNLBKG-QJPTWQEYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.87
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86.85
TPSA
108

LogP / Solubility

WLOGP
1.59
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly 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)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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