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CAS 167255-48-3 Carbamic acid, [[2-(hydroxymethyl)cyclopropyl]methyl]-, 1,1-dimethylethyl molecular structure lightbox
CAS RN: 167255-48-3

Carbamic acid, [[2-(hydroxymethyl)cyclopropyl]methyl]-, 1,1-dimethylethyl

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Batchno.20250715 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS167255-48-3
  • Purity/Analytical Methods: >99.0%
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167255-48-3 / tert-butyl N-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methyl]carbamate

Standard CAS: 167255-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
167255-48-3
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CO
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-7-4-8(7)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)/t7-,8-/m1/s1
InChIKey
KXNPTSIIVCAMOC-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.92
TPSA
58.56

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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