![CAS 1196147-31-5 6,7-Dihydro-2-Methyl-5(4H)-benzo[d]oxazolone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1196147-31-5.gif)
CAS RN: 1196147-31-5
6,7-Dihydro-2-Methyl-5(4H)-benzo[d]oxazolone
- Product code: SSC-020182
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1196147-31-5 / 2-methyl-6,7-dihydro-4H-1,3-benzoxazol-5-one
2-METHYL-6,7-DIHYDROBENZO[D]OXAZOL-5(4H)-ONE | 2-methyl-6,7-dihydro-4H-1,3-benzoxazol-5-one | SCHEMBL19152568
Basic Information
CAS
1196147-31-5
Multi CAS
No
Molecular Formula
C8H9NO2
Molecular Weight
151.160000
Exact Mass
151.063329
SMILES
CC1=NC2=C(O1)CCC(=O)C2
InChI
InChI=1S/C8H9NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4H2,1H3
InChIKey
QCXTZKBXVUTYQN-UHFFFAOYSA-N
Synonyms
2-METHYL-6,7-DIHYDROBENZO[D]OXAZOL-5(4H)-ONE
2-methyl-6,7-dihydro-4H-1,3-benzoxazol-5-one
SCHEMBL19152568
AB69372
DA-18748
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
Molar refractivity
38.27
TPSA
43.1
LogP / Solubility
WLOGP
1.04
MLOGP
0.91
XLogP3
0.5
Consensus LogP
0.82
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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