CAS RN: 56427-77-1
Methyl 2-(bromomethyl)-6-methylbenzoate
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.20250630 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56427-77-1
- Purity/Analytical Methods: >99.0%
56427-77-1 / methyl 2-(bromomethyl)-6-methylbenzoate
Basic Information
CAS
56427-77-1
Multi CAS
No
Molecular Formula
C10H11BRO2
Molecular Weight
243.100000
Exact Mass
241.994240
InChI
InChI=1S/C10H11BrO2/c1-7-4-3-5-8(6-11)9(7)10(12)13-2/h3-5H,6H2,1-2H3
InChIKey
UDNSKBMNXZVXKW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.15
TPSA
26.3
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.3
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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