CAS RN: 2095410-88-9
Carbamic acid, N-(3-aminocyclohexyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
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.20250209 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2095410-88-9
- Purity/Analytical Methods: >99.0%
2095410-88-9 / tert-butyl N-(3-aminocyclohexyl)carbamate;hydrochloride
Basic Information
CAS
2095410-88-9
Multi CAS
No
Molecular Formula
C11H23ClN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
SMILES
CC(C)(C)OC(=O)NC1CCCC(C1)N.Cl
InChI
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H
InChIKey
LLEANKHCIRWNRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.85
TPSA
64.35
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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