![CAS 113713-24-9 5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]THIO]-1H-IMIDAZO[4,5B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/113713-24-9.gif)
CAS RN: 113713-24-9
5-METHOXY-2-[[(4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL]THIO]-1H-IMIDAZO[4,5B]PYRIDINE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250322 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS113713-24-9
- Purity/Analytical Methods: >99.0%
113713-24-9 / 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-imidazo[4,5b]pyridine | 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine | tenatoprazole sulfide
Basic Information
CAS
113713-24-9
Multi CAS
No
Molecular Formula
C16H18N4O2S
Molecular Weight
330.400000
Exact Mass
330.115047
SMILES
CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=CC(=N3)OC
InChI
InChI=1S/C16H18N4O2S/c1-9-7-17-12(10(2)14(9)22-4)8-23-16-18-11-5-6-13(21-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
InChIKey
ZZRLRRBNMPMTIL-UHFFFAOYSA-N
Synonyms
5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-imidazo[4,5b]pyridine
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
tenatoprazole sulfide
ZZRLRRBNMPMTIL-UHFFFAOYSA-N
TU-501
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
90.26
TPSA
72.92
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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