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CAS 677327-29-6 N-(5-IODO-3-METHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE molecular structure lightbox
CAS RN: 677327-29-6

N-(5-IODO-3-METHYL-PYRIDIN-2-YL)-2,2-DIMETHYL-PROPIONAMIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251130 1g In stock Inquiry
Batchno.20260114 250mg In stock Inquiry
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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS677327-29-6
  • Purity/Analytical Methods: >99.0%
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677327-29-6 / N-(5-iodo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide

Standard CAS: 677327-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
677327-29-6
Multi CAS
No
Molecular Formula
C11H15In2O
Molecular Weight
318.150000
Exact Mass
318.022910
InChI
InChI=1S/C11H15IN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKey
LRQWADXLVLGBSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.78
TPSA
41.99

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
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
No
Log Kp (skin permeation)
-2.55

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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