![CAS 187683-79-0 2-BUTYL-3,4-DIHYDRO-N,N-DIMETHYL-4-OXO-3-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL-4-YL]METHYL]]-5H-IMIDAZO[4,5-C]PYRIDINE-5-ACETAMIDE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/187683-79-0.gif)
CAS RN: 187683-79-0
2-BUTYL-3,4-DIHYDRO-N,N-DIMETHYL-4-OXO-3-[[2′-(1H-TETRAZOL-5-YL)[1,1′-BIPHENYL-4-YL]METHYL]]-5H-IMIDAZO[4,5-C]PYRIDINE-5-ACETAMIDE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS187683-79-0
- Purity/Analytical Methods: >99.0%
187683-79-0 / 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide;hydrochloride
Basic Information
CAS
187683-79-0
Multi CAS
No
Molecular Formula
C28H31ClN8O2
Molecular Weight
547.000000
Exact Mass
546.225850
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)CC(=O)N(C)C.Cl
InChI
InChI=1S/C28H30N8O2.ClH/c1-4-5-10-24-29-23-15-16-35(18-25(37)34(2)3)28(38)26(23)36(24)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)27-30-32-33-31-27;/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,30,31,32,33);1H
InChIKey
YMFXGXGDHBXTPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
26
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
152.7
TPSA
114.59
LogP / Solubility
WLOGP
3.95
MLOGP
3.51
XLogP3
3.95
Consensus LogP
3.8
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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