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CAS 1265139-77-2 Bis((6-broMopyridin-2-yl)Methyl)aMine molecular structure lightbox
CAS RN: 1265139-77-2

Bis((6-broMopyridin-2-yl)Methyl)aMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251113 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1265139-77-2
  • Purity/Analytical Methods: >99.0%
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1265139-77-2 / 1-(6-bromo-2-pyridinyl)-N-[(6-bromo-2-pyridinyl)methyl]methanamine

Standard CAS: 1265139-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1265139-77-2
Multi CAS
No
Molecular Formula
C12H11Br2N3
Molecular Weight
357.040000
Exact Mass
356.929920
SMILES
C1=CC(=NC(=C1)Br)CNCC2=NC(=CC=C2)Br
InChI
InChI=1S/C12H11Br2N3/c13-11-5-1-3-9(16-11)7-15-8-10-4-2-6-12(14)17-10/h1-6,15H,7-8H2
InChIKey
VMRYVVHVKUZHHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.42
TPSA
37.81

LogP / Solubility

WLOGP
3.29
MLOGP
2.92
XLogP3
2.8
Consensus LogP
3
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
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
Yes
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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