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CAS 887571-32-6 CHEMBRDG-BB 4004428 molecular structure lightbox
CAS RN: 887571-32-6

CHEMBRDG-BB 4004428

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250423 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS887571-32-6
  • Purity/Analytical Methods: >99.0%
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887571-32-6 / N-methyl-1-(6-methyl-1H-benzimidazol-2-yl)methanamine

Standard CAS: 887571-32-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887571-32-6
Multi CAS
Yes
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
InChI
InChI=1S/C10H13N3/c1-7-3-4-8-9(5-7)13-10(12-8)6-11-2/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKey
CPBXKMCOBFSSIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.59
TPSA
40.71

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

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

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