CAS RN: 42990-28-3
(R)-2-bromo-4-methylpentanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS42990-28-3
- Purity/Analytical Methods: >99.0%
42990-28-3 / 2-bromo-4-methylpentanoic acid
Basic Information
CAS
42990-28-3
Multi CAS
Yes
Molecular Formula
C6H11BRO2
Molecular Weight
195.050000
Exact Mass
193.994240
InChI
InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChIKey
NNFDHJQLIFECSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.81
TPSA
37.3
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
2.3
Consensus LogP
1.94
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
L-2-AMINOOXY-3-PHENYLPROPIONIC ACID
- CAS RN: 42990-62-5
- Product Code: starshine_CAS42990-62-5
- Purity/Analytical method: >99.0%
-
2,4-Decadien-1-one, 1-(1-piperidinyl)-, (2E,4E)-
- CAS RN: 42997-42-2
- Product Code: starshine_CAS42997-42-2
- Purity/Analytical method: >99.0%
-
-
-
