CAS RN: 134612-80-9
3-METHOXY-4-HYDROXY-5-NITROBENZYL,4′-METHYLBENZYL KETONE
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260507 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260311 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260129 | 1g | Out of stock | Inquiry | ||
| Batchno.20251011 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260607 | 50mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250616 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS134612-80-9
- Purity/Analytical Methods: >99.0%
134612-80-9 / (4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone
Basic Information
CAS
134612-80-9
Multi CAS
No
Molecular Formula
C15H13NO5
Molecular Weight
287.270000
Exact Mass
287.079373
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-]
InChI
InChI=1S/C15H13NO5/c1-9-3-5-10(6-4-9)14(17)11-7-12(16(19)20)15(18)13(8-11)21-2/h3-8,18H,1-2H3
InChIKey
VCNSNEJUGBEWTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
75.92
TPSA
89.67
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
3.6
Consensus LogP
2.99
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
Tetraamminepalladium (II) hydrogen carbonate
- CAS RN: 134620-00-1
- Product Code: starshine_CAS134620-00-1
- Purity/Analytical method: >99.0%
-
2,3-DIMETHYLPHENYLMAGNESIUM BROMIDE
- CAS RN: 134640-85-0
- Product Code: starshine_CAS134640-85-0
- Purity/Analytical method: >99.0%
-
