CAS RN: 639091-78-4
(4-AMINOMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
- Product code: SSC-173708
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
- Available purity: >95%
- Inventory rows with stock: 5
- 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% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 3 In Stock | Shanghai | Inquiry |
| 10g | >95% | 3 In Stock | Hong Kong | Inquiry |
639091-78-4 / tert-butyl N-[4-(aminomethyl)-2-pyridinyl]carbamate
Basic Information
CAS
639091-78-4
Multi CAS
Yes
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9/h4-6H,7,12H2,1-3H3,(H,13,14,15)
InChIKey
MTLPTFRZCYSDNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.99
TPSA
77.24
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
0.6
Consensus LogP
1.38
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.74
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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