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CAS 358721-70-7 UBCS039 molecular structure lightbox
CAS RN: 358721-70-7

UBCS039

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8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100mg In stock Shanghai Inquiry
Batchno.20250922 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250621 1g In stock Shanghai Inquiry
Batchno.20250601 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251229 250mg In stock Shanghai Inquiry
Batchno.20250622 50mg In stock Shanghai Inquiry
Batchno.20260127 5mg In stock Shanghai, Wuhan Inquiry
Batchno.20250428 5mg / 10mg Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS358721-70-7
  • Purity/Analytical Methods: >99.0%
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358721-70-7 / 4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline

Standard CAS: 358721-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
358721-70-7
Multi CAS
No
Molecular Formula
C16H13N3
Molecular Weight
247.290000
Exact Mass
247.110947
InChI
InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H
InChIKey
BSOBGTYXYGHUTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.47
TPSA
29.85

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
2.5
Consensus LogP
2.96
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
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)
-1.82

Drug-likeness / Medicinal Chemistry

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

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