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 |
1363383-37-2 / tert-butyl N-(2-oxo-1H-pyridin-4-yl)carbamate
Basic Information
CAS
1363383-37-2
Multi CAS
No
Molecular Formula
C10H14N2O3
Molecular Weight
210.230000
Exact Mass
210.100442
SMILES
CC(C)(C)OC(=O)NC1=CC(=O)NC=C1
InChI
InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-4-5-11-8(13)6-7/h4-6H,1-3H3,(H2,11,12,13,14)
InChIKey
VNJZRTVKUGFQOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.92
TPSA
71.19
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
0.5
Consensus LogP
1.25
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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