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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
- Available purity: >95%
- Inventory rows with stock: 2
- 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 | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >95% | 0 Out of Stock | Shanghai | Inquiry |
304873-65-2 / tert-butyl N-(4-formyl-2-pyridinyl)carbamate
Basic Information
CAS
304873-65-2
Multi CAS
Yes
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
InChI
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h4-7H,1-3H3,(H,12,13,15)
InChIKey
KLQQTJMQHIOKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.48
TPSA
68.29
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
1.2
Consensus LogP
1.8
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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