CAS RN: 365996-30-1
(1S,2R)-N1-(tert-Butoxycarbonyl)-1,2-cyclohexanediamine
- Product code: SSC-143791
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
365996-30-1 / tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate
Basic Information
CAS
365996-30-1
Multi CAS
Yes
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m1/s1
InChIKey
AKVIZYGPJIWKOS-BDAKNGLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.6
TPSA
64.35
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide
- CAS RN: 144222-34-4
- Product Code: SSC-055433
-
-
-
-
-
