CAS RN: 146821-84-3
2-(Dimethoxymethyl)-2-methyl-6-nitro-2H-chromene
- Product code: SSC-057741
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
146821-84-3 / 2-(dimethoxymethyl)-2-methyl-6-nitrochromene
Basic Information
CAS
146821-84-3
Multi CAS
No
Molecular Formula
C13H15NO5
Molecular Weight
265.260000
Exact Mass
265.095023
SMILES
CC1(C=CC2=C(O1)C=CC(=C2)[N+](=O)[O-])C(OC)OC
InChI
InChI=1S/C13H15NO5/c1-13(12(17-2)18-3)7-6-9-8-10(14(15)16)4-5-11(9)19-13/h4-8,12H,1-3H3
InChIKey
FQQAVRSUTPXFRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
68.97
TPSA
70.83
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly 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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
benzyl 4-(acetylthio)piperidine-1-carboxylate
- CAS RN: 146827-60-3
- Product Code: SSC-057742
-
-
Ethanone, 1-[1-(hydroxymethyl)cyclopropyl]- (9CI)
- CAS RN: 146857-31-0
- Product Code: SSC-057752
-
-
5-bromo-3-tert-butyl-1H-1,2,4-triazole(SALTDATA: FREE)
- CAS RN: 146858-36-8
- Product Code: SSC-057754
-
2-Pyridinemethanol,6-amino-alpha-methyl-(9CI)
- CAS RN: 146859-53-2
- Product Code: SSC-057755
![CAS 146857-31-0 Ethanone, 1-[1-(hydroxymethyl)cyclopropyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146857-31-0.gif)
