![CAS 1824388-23-9 Tert-Butyl N-[3-(3-Aminopyridin-4-Yl)-5-Methylcyclohexyl]Carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1824388-23-9.gif)
CAS RN: 1824388-23-9
Tert-Butyl N-[3-(3-Aminopyridin-4-Yl)-5-Methylcyclohexyl]Carbamate
- Product code: SSC-084376
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 | Beijing | Inquiry |
1824388-23-9 / tert-butyl N-[3-(3-amino-4-pyridinyl)-5-methylcyclohexyl]carbamate
Basic Information
CAS
1824388-23-9
Multi CAS
No
Molecular Formula
C17H27N3O2
Molecular Weight
305.400000
Exact Mass
305.210327
SMILES
CC1CC(CC(C1)NC(=O)OC(C)(C)C)C2=C(C=NC=C2)N
InChI
InChI=1S/C17H27N3O2/c1-11-7-12(14-5-6-19-10-15(14)18)9-13(8-11)20-16(21)22-17(2,3)4/h5-6,10-13H,7-9,18H2,1-4H3,(H,20,21)
InChIKey
IJNVTEQPYTYYLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
87.56
TPSA
77.24
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
2.8
Consensus LogP
3.11
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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