![CAS 877468-30-9 2-(1-naphthylmethylene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877468-30-9.gif)
CAS RN: 877468-30-9
2-(1-naphthylmethylene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: starshine_CAS877468-30-9
- Purity/Analytical Methods: >99.0%
877468-30-9 / (2Z)-2-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Basic Information
CAS
877468-30-9
Multi CAS
No
Molecular Formula
C20H12N2OS
Molecular Weight
328.400000
Exact Mass
328.067034
InChI
InChI=1S/C20H12N2OS/c23-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)24-20-21-16-10-3-4-11-17(16)22(19)20/h1-12H/b18-12-
InChIKey
LSMSWMATNWABID-PDGQHHTCSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
22
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
99.58
TPSA
34.37
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
5.3
Consensus LogP
4.03
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
(3-HYDROXYMETHYL-PYRIDIN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
- CAS RN: 877593-11-8
- Product Code: SSC-198034
-
1-[3-(2-methylpropyl)phenyl]ethan-1-one
- CAS RN: 877612-13-0
- Product Code: starshine_CAS877612-13-0
- Purity/Analytical method: >99.0%
-
-
-
5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one
- CAS RN: 877636-42-5
- Product Code: SSC-198041
-
7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
- CAS RN: 877674-77-6
- Product Code: starshine_CAS877674-77-6
- Purity/Analytical method: >99.0%
![CAS 877612-13-0 1-[3-(2-methylpropyl)phenyl]ethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877612-13-0.gif)
![CAS 877636-42-5 5-[(4-Nitrobenzoyl)oxy]-2-[(2-pyrimidinylthio)methyl]-4H-pyran-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877636-42-5.gif)
![CAS 877674-77-6 7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/877674-77-6.gif)