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CAS 951885-02-2 5-Bromo-N-(4-methoxybenzyl)picolinamide molecular structure lightbox
CAS RN: 951885-02-2

5-Bromo-N-(4-methoxybenzyl)picolinamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS951885-02-2
  • Purity/Analytical Methods: >99.0%
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951885-02-2 / 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide

Standard CAS: 951885-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
951885-02-2
Multi CAS
No
Molecular Formula
BC14H13O2Rn2
Molecular Weight
321.170000
Exact Mass
320.016040
InChI
InChI=1S/C14H13BrN2O2/c1-19-12-5-2-10(3-6-12)8-17-14(18)13-7-4-11(15)9-16-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey
WDOMBIXVPWZYFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.1
TPSA
51.22

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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