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CAS 335299-59-7 Tenatoprazole sodium molecular structure lightbox
CAS RN: 335299-59-7

Tenatoprazole sodium

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS335299-59-7
  • Purity/Analytical Methods: >99.0%
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335299-59-7 / Tenatoprazole sodium

Standard CAS: 335299-59-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335299-59-7
Multi CAS
Yes
Molecular Formula
C16H18N4NAO3S
Molecular Weight
369.400000
Exact Mass
369.099731
InChI
InChI=1S/C16H18N4O3S.Na/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16;/h5-7H,8H2,1-4H3,(H,18,19,20);
InChIKey
QQTLYVVABYKLLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
96.57
TPSA
89.99

LogP / Solubility

WLOGP
1.91
MLOGP
1.7
XLogP3
1.91
Consensus LogP
1.84
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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