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CAS 162709-20-8 2-METHOXY-4-IODO-3-BOCAMINOPYRIDINE molecular structure lightbox
CAS RN: 162709-20-8

2-METHOXY-4-IODO-3-BOCAMINOPYRIDINE

  • Product code: SSC-070096
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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 162709-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

162709-20-8 / tert-butyl N-(4-iodo-2-methoxy-3-pyridinyl)carbamate

Standard CAS: 162709-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162709-20-8
Multi CAS
No
Molecular Formula
C11H15IN2O3
Molecular Weight
350.150000
Exact Mass
350.012740
SMILES
CC(C)(C)OC(=O)NC1=C(C=CN=C1OC)I
InChI
InChI=1S/C11H15IN2O3/c1-11(2,3)17-10(15)14-8-7(12)5-6-13-9(8)16-4/h5-6H,1-4H3,(H,14,15)
InChIKey
ILBYCZBMTFARSV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.36
TPSA
60.45

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
2.4
Consensus LogP
2.71
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

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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