CAS RN: 852617-12-0
N,N’-di-tert-butoxycarbonyl-2,6-diaminopyridine
- Product code: SSC-193577
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
852617-12-0 / tert-butyl N-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamate
Basic Information
CAS
852617-12-0
Multi CAS
No
Molecular Formula
C15H23N3O4
Molecular Weight
309.360000
Exact Mass
309.168856
InChI
InChI=1S/C15H23N3O4/c1-14(2,3)21-12(19)17-10-8-7-9-11(16-10)18-13(20)22-15(4,5)6/h7-9H,1-6H3,(H2,16,17,18,19,20)
InChIKey
QVPCQNKHMFGPLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
83.95
TPSA
89.55
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
2.6
Consensus LogP
3.24
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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