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CAS 113975-32-9 N-(4-IODO-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE molecular structure lightbox
CAS RN: 113975-32-9

N-(4-IODO-PYRIDIN-3-YL)-2,2-DIMETHYL-PROPIONAMIDE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250325 1g In stock Inquiry
Batchno.20251224 250mg In stock Inquiry
Batchno.20251009 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250126 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-013901
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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 113975-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

113975-32-9 / N-(4-iodo-3-pyridinyl)-2,2-dimethylpropanamide

N-(4-iodopyridin-3-yl)-2,2-dimethylpropanamide | DTXSID10440130 | RefChem:362048

Standard CAS: 113975-32-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113975-32-9
Multi CAS
No
Molecular Formula
C10H13IN2O
Molecular Weight
304.130000
Exact Mass
304.007260
SMILES
CC(C)(C)C(=O)NC1=C(C=CN=C1)I
InChI
InChI=1S/C10H13IN2O/c1-10(2,3)9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)
InChIKey
MWRKADKNFCJKNN-UHFFFAOYSA-N
Synonyms
N-(4-iodopyridin-3-yl)-2,2-dimethylpropanamide DTXSID10440130 RefChem:362048 DTXCID40390952 N-(4-Iodopyridin-3-yl)pivalamide

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.04
TPSA
41.99

LogP / Solubility

WLOGP
2.67
MLOGP
2.36
XLogP3
2.1
Consensus LogP
2.38
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.68

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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