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CAS 113712-98-4 Tenatoprazole molecular structure lightbox
CAS RN: 113712-98-4

Tenatoprazole

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg Out of stock Inquiry
Batchno.20250911 250mg Out of stock Inquiry
Batchno.20251113 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 10mg In stock Shanghai, Hebei Inquiry
Batchno.20250203 250mg Out of stock 8-10 business days Inquiry
Batchno.20251127 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS113712-98-4
  • Purity/Analytical Methods: >99.0%
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113712-98-4 / 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine

Tenatoprazole | TU-199 | TU199

Standard CAS: 113712-98-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113712-98-4
Multi CAS
Yes
Molecular Formula
C16H18N4O3S
Molecular Weight
346.400000
Exact Mass
346.109962
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
InChI
InChI=1S/C16H18N4O3S/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
ZBFDAUIVDSSISP-UHFFFAOYSA-N
Synonyms
Tenatoprazole TU-199 TU199 Tenatoprazol RE0689TX2K

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.82
TPSA
89.99

LogP / Solubility

WLOGP
2.29
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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