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CAS 848249-10-5 HS-243 molecular structure lightbox
CAS RN: 848249-10-5

HS-243

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100mg In stock Inquiry
Batchno.20250419 10mg In stock Inquiry
Batchno.20250217 25mg In stock Inquiry
Batchno.20260225 50mg In stock Inquiry
Batchno.20260701 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251128 5mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS848249-10-5
  • Purity/Analytical Methods: >99.0%
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848249-10-5 / 3-nitro-N-(1-propylbenzimidazol-2-yl)benzamide

Standard CAS: 848249-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848249-10-5
Multi CAS
No
Molecular Formula
C17H16N4O3
Molecular Weight
324.330000
Exact Mass
324.122240
InChI
InChI=1S/C17H16N4O3/c1-2-10-20-15-9-4-3-8-14(15)18-17(20)19-16(22)12-6-5-7-13(11-12)21(23)24/h3-9,11H,2,10H2,1H3,(H,18,19,22)
InChIKey
JLLIANWHDQWCMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.07
TPSA
90.06

LogP / Solubility

WLOGP
3.61
MLOGP
3.19
XLogP3
3.3
Consensus LogP
3.37
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
Class (SILICOS-IT)
Slightly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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