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CAS 99614-03-6 Ondansetron HCl IMpurity-G molecular structure lightbox
CAS RN: 99614-03-6

Ondansetron HCl IMpurity-G

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250518 5mg / 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS99614-03-6
  • Purity/Analytical Methods: >99.0%
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99614-03-6 / 3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one

Standard CAS: 99614-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99614-03-6
Multi CAS
Yes
Molecular Formula
C17H17N3O
Molecular Weight
279.340000
Exact Mass
279.137162
InChI
InChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKey
KPSGSRBENRBWPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
81.29
TPSA
39.82

LogP / Solubility

WLOGP
2.82
MLOGP
2.49
XLogP3
1.9
Consensus LogP
2.4
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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