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CAS 15207-93-9 BIO-FARMA BF002412 molecular structure lightbox
CAS RN: 15207-93-9

BIO-FARMA BF002412

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS15207-93-9
  • Purity/Analytical Methods: >99.0%
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15207-93-9 / 1-benzyl-5-nitrobenzimidazole

Standard CAS: 15207-93-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15207-93-9
Multi CAS
No
Molecular Formula
C14H11N3O2
Molecular Weight
253.260000
Exact Mass
253.085127
SMILES
C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O2/c18-17(19)12-6-7-14-13(8-12)15-10-16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKey
IMWRCUGAWHFPPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
71.93
TPSA
60.96

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.9
Consensus LogP
2.84
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.14

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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