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CAS 1616434-23-1 tert-butyl (3-amino-2,6-dichloropyridin-4-yl)carbamate molecular structure lightbox
CAS RN: 1616434-23-1

tert-butyl (3-amino-2,6-dichloropyridin-4-yl)carbamate

  • Product code: SSC-069257
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1616434-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1616434-23-1 / tert-butyl N-(3-amino-2,6-dichloro-4-pyridinyl)carbamate

Standard CAS: 1616434-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1616434-23-1
Multi CAS
No
Molecular Formula
C10H13Cl2N3O2
Molecular Weight
278.130000
Exact Mass
277.038482
SMILES
CC(C)(C)OC(=O)NC1=CC(=NC(=C1N)Cl)Cl
InChI
InChI=1S/C10H13Cl2N3O2/c1-10(2,3)17-9(16)14-5-4-6(11)15-8(12)7(5)13/h4H,13H2,1-3H3,(H,14,15,16)
InChIKey
XBCWWJVHFBRLEE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.53
TPSA
77.24

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.7
Consensus LogP
2.98
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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