CAS RN: 887143-08-0
Butanedioic acid, bromo-, 4-(1,1-dimethylethyl) 1-methyl ester, (2S)- (9CI)
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.20260324 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS887143-08-0
- Purity/Analytical Methods: >99.0%
887143-08-0 / 4-O-tert-butyl 1-O-methyl (2S)-2-bromobutanedioate
Basic Information
CAS
887143-08-0
Multi CAS
Yes
Molecular Formula
C9H15BRO4
Molecular Weight
267.120000
Exact Mass
266.015370
InChI
InChI=1S/C9H15BrO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKey
RMYNMVDLUFHECX-LURJTMIESA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
55.19
TPSA
52.6
LogP / Solubility
WLOGP
1.65
MLOGP
1.46
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
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)
-3.17
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
2
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