CAS RN: 920966-16-1
Benzyl Cis-3-Hydroxymethylcyclohexylcarbamate
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.20250611 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS920966-16-1
- Purity/Analytical Methods: >99.0%
920966-16-1 / tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamate
Basic Information
CAS
920966-16-1
Multi CAS
Yes
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-5-9(7-10)8-14/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m0/s1
InChIKey
LBJSEPNOVVUVJA-VHSXEESVSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.2
TPSA
58.56
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
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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