CAS RN: 943994-74-9
Methyl 2-(4-broMo-2-Methyl-6-nitrophenoxy)acetate
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.20250301 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS943994-74-9
- Purity/Analytical Methods: >99.0%
943994-74-9 / methyl 2-(4-bromo-2-methyl-6-nitrophenoxy)acetate
Basic Information
CAS
943994-74-9
Multi CAS
No
Molecular Formula
BC10H10O5Rn
Molecular Weight
304.090000
Exact Mass
302.974230
InChI
InChI=1S/C10H10BrNO5/c1-6-3-7(11)4-8(12(14)15)10(6)17-5-9(13)16-2/h3-4H,5H2,1-2H3
InChIKey
CFVIWXBRKCPIOJ-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
5
Molar refractivity
63.04
TPSA
78.67
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.7
Consensus LogP
2.29
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
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
1.5
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