![CAS 1000981-77-0 2,3-dihydroimidazo[1,2-a]pyridin-5(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000981-77-0.gif)
CAS RN: 1000981-77-0
2,3-dihydroimidazo[1,2-a]pyridin-5(1H)-one
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS1000981-77-0
- Purity/Analytical Methods: >99.0%
1000981-77-0 / 2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
2,3-Dihydroimidazo[1,2-a]pyridin-5(1H)-one | 1000981-77-0 | 2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
Basic Information
CAS
1000981-77-0
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1CN2C(=O)C=CC=C2N1
InChI
InChI=1S/C7H8N2O/c10-7-3-1-2-6-8-4-5-9(6)7/h1-3,8H,4-5H2
InChIKey
MGUSLUFJIJLMMK-UHFFFAOYSA-N
Synonyms
2,3-Dihydroimidazo[1,2-a]pyridin-5(1H)-one
1000981-77-0
2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
MFCD10699459
Imidazo[1,2-a]pyridin-5(1H)-one, 2,3-dihydro-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.19
TPSA
34.03
LogP / Solubility
WLOGP
0.27
MLOGP
0.23
XLogP3
0.4
Consensus LogP
0.3
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
amino}-2-(4-chlorophenyl)propanoic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3-{[(tert-butoxy)carbonyl](propan-2-yl)amino}-2-(4-chlorophenyl)propanoic acid
- CAS RN: 1000985-05-6
- Product Code: SSC-000419
-
3-AMino-2-hydroxy-N,N-diMethylbenzaMide Hydrochloride
- CAS RN: 1000993-70-3
- Product Code: SSC-000421
-
5-Tert-Butyl 7-Ethyl 6,7-Dihydro-1H-Pyrazolo[4,3-C]Pyridine-5,7(4H)-Dicarboxylate
- CAS RN: 1000994-24-0
- Product Code: SSC-000422
-
2-(4-(1,1-difluoroethyl)phenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane
- CAS RN: 1000994-94-4
- Product Code: SSC-000423
-
ChloraMultilide B
- CAS RN: 1000995-47-0
- Product Code: starshine_CAS1000995-47-0
- Purity/Analytical method: >99.0%
-
ChloraMultilide D
- CAS RN: 1000995-49-2
- Product Code: starshine_CAS1000995-49-2
- Purity/Analytical method: >99.0%
amino}-2-(4-chlorophenyl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000985-05-6.gif)
![CAS 1000994-24-0 5-Tert-Butyl 7-Ethyl 6,7-Dihydro-1H-Pyrazolo[4,3-C]Pyridine-5,7(4H)-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000994-24-0.gif)
