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CAS 886366-01-4 (5-BROMO-PYRIMIDIN-2-YL)-FURAN-2-YLMETHYL-AMINE molecular structure lightbox
CAS RN: 886366-01-4

(5-BROMO-PYRIMIDIN-2-YL)-FURAN-2-YLMETHYL-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260211 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS886366-01-4
  • Purity/Analytical Methods: >99.0%
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886366-01-4 / 5-bromo-N-(furan-2-ylmethyl)pyrimidin-2-amine

Standard CAS: 886366-01-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
886366-01-4
Multi CAS
Yes
Molecular Formula
BC9H8ORn3
Molecular Weight
254.080000
Exact Mass
252.985070
InChI
InChI=1S/C9H8BrN3O/c10-7-4-11-9(12-5-7)13-6-8-2-1-3-14-8/h1-5H,6H2,(H,11,12,13)
InChIKey
ADUNIMSRQPQYHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.77
TPSA
50.95

LogP / Solubility

WLOGP
2.44
MLOGP
2.16
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

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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