CAS RN: 494209-36-8
Cis-tert-butyl-2-carbamoylcyclopentylcarbamate
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS494209-36-8
- Purity/Analytical Methods: >99.0%
494209-36-8 / tert-butyl N-[(1S,2R)-2-carbamoylcyclopentyl]carbamate
Basic Information
CAS
494209-36-8
Multi CAS
Yes
Molecular Formula
C11H20N2O3
Molecular Weight
228.290000
Exact Mass
228.147393
InChI
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-6-4-5-7(8)9(12)14/h7-8H,4-6H2,1-3H3,(H2,12,14)(H,13,15)/t7-,8+/m1/s1
InChIKey
IPZHOKFZGXCJJP-SFYZADRCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.69
TPSA
81.42
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
1.3
Consensus LogP
1.17
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
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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![CAS 494227-30-4 (R)-1-[(R)-2-[2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]PHENYL]FERROCENYL]-ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494227-30-4.gif)