![CAS 497159-95-2 Carbamic acid, [(1S,3S)-3-(hydroxymethyl)cyclopentyl]-, 1,1-dimethylethyl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/497159-95-2.gif)
CAS RN: 497159-95-2
Carbamic acid, [(1S,3S)-3-(hydroxymethyl)cyclopentyl]-, 1,1-dimethylethyl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251216 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS497159-95-2
- Purity/Analytical Methods: >99.0%
497159-95-2 / tert-butyl N-[3-(hydroxymethyl)cyclopentyl]carbamate
Basic Information
CAS
497159-95-2
Multi CAS
Yes
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-9-5-4-8(6-9)7-13/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKey
VZZBOERLWPQMCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.58
TPSA
58.56
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.85
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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