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CAS 1421503-53-8 tert-butyl 2-iodo-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 1421503-53-8

tert-butyl 2-iodo-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251017 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-052894
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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: ＞97%
  • 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 1421503-53-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1421503-53-8 / tert-butyl 2-iodo-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

Standard CAS: 1421503-53-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421503-53-8
Multi CAS
No
Molecular Formula
C11H16IN3O2
Molecular Weight
349.170000
Exact Mass
349.028720
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)NC(=N2)I
InChI
InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)14-9(12)13-7/h4-6H2,1-3H3,(H,13,14)
InChIKey
YZGZDAGAOWWPJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.65
TPSA
58.22

LogP / Solubility

WLOGP
2.31
MLOGP
2.05
XLogP3
1.5
Consensus LogP
1.95
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.21

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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