Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
480450-69-9 / tert-butyl N-[(1R,2S,5S)-2-azido-5-(dimethylcarbamoyl)cyclohexyl]carbamate
Basic Information
CAS
480450-69-9
Multi CAS
Yes
Molecular Formula
C14H25N5O3
Molecular Weight
311.380000
Exact Mass
311.195740
InChI
InChI=1S/C14H25N5O3/c1-14(2,3)22-13(21)16-11-8-9(12(20)19(4)5)6-7-10(11)17-18-15/h9-11H,6-8H2,1-5H3,(H,16,21)/t9-,10-,11+/m0/s1
InChIKey
LVJZCKRMMBTVNC-GARJFASQSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.13
TPSA
107.4
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4
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