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CAS 1622407-12-8 tert-Butyl (6-chloro-3-iodopyridin-2-yl)carbamate molecular structure lightbox
CAS RN: 1622407-12-8

tert-Butyl (6-chloro-3-iodopyridin-2-yl)carbamate

  • Product code: SSC-069801
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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 1622407-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1622407-12-8 / tert-butyl N-(6-chloro-3-iodo-2-pyridinyl)carbamate

Standard CAS: 1622407-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1622407-12-8
Multi CAS
No
Molecular Formula
C10H12ClIN2O2
Molecular Weight
354.570000
Exact Mass
353.963200
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=N1)Cl)I
InChI
InChI=1S/C10H12ClIN2O2/c1-10(2,3)16-9(15)14-8-6(12)4-5-7(11)13-8/h4-5H,1-3H3,(H,13,14,15)
InChIKey
XUBOHMHNNCJPHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.82
TPSA
51.22

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-2.27

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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