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CAS 914942-88-4 tert-butyl (6-amino-7-iodo-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)(methyl)carbamate molecular structure lightbox
CAS RN: 914942-88-4

tert-butyl (6-amino-7-iodo-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)(methyl)carbamate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-204683
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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: 0.25g, 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 914942-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

914942-88-4 / tert-butyl N-(6-amino-7-iodo-1-methylimidazo[4,5-c]pyridin-4-yl)-N-methylcarbamate

Standard CAS: 914942-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914942-88-4
Multi CAS
No
Molecular Formula
C13H18In5O2
Molecular Weight
403.220000
Exact Mass
403.050520
InChI
InChI=1S/C13H18IN5O2/c1-13(2,3)21-12(20)19(5)11-8-9(18(4)6-16-8)7(14)10(15)17-11/h6H,1-5H3,(H2,15,17)
InChIKey
JZLKAZMOZMXQIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.28
TPSA
86.27

LogP / Solubility

WLOGP
2.53
MLOGP
2.25
XLogP3
1.8
Consensus LogP
2.19
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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