CAS RN: 55776-20-0
METHYL 2,6-DIMETHOXY-3-NITROBENZOATE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260502 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55776-20-0
- Purity/Analytical Methods: >99.0%
55776-20-0 / methyl 2,6-dimethoxy-3-nitrobenzoate
Basic Information
CAS
55776-20-0
Multi CAS
No
Molecular Formula
C10H11NO6
Molecular Weight
241.200000
Exact Mass
241.058637
InChI
InChI=1S/C10H11NO6/c1-15-7-5-4-6(11(13)14)9(16-2)8(7)10(12)17-3/h4-5H,1-3H3
InChIKey
HVVQDBFINNUQBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
57.54
TPSA
87.9
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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