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CAS 290368-00-2 1-Boc-3-iodoindazole molecular structure lightbox
CAS RN: 290368-00-2

1-Boc-3-iodoindazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251010 250mg / 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-131228
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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: 5g
  • 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 290368-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

290368-00-2 / tert-butyl 3-iodoindazole-1-carboxylate

Standard CAS: 290368-00-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
290368-00-2
Multi CAS
No
Molecular Formula
C12H13In2O2
Molecular Weight
344.150000
Exact Mass
344.002180
InChI
InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3
InChIKey
DHNSGIOEVGLLOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.08
TPSA
44.12

LogP / Solubility

WLOGP
3.42
MLOGP
3.03
XLogP3
3.5
Consensus LogP
3.32
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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