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CAS 99147-12-3 (R)-DIMETHYL BROMOSUCCINATE molecular structure lightbox
CAS RN: 99147-12-3

(R)-DIMETHYL BROMOSUCCINATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99147-12-3
  • Purity/Analytical Methods: >99.0%
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99147-12-3 / dimethyl 2-bromobutanedioate

Standard CAS: 99147-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99147-12-3
Multi CAS
Yes
Molecular Formula
C6H9BRO4
Molecular Weight
225.040000
Exact Mass
223.968420
InChI
InChI=1S/C6H9BrO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3H2,1-2H3/t4-/m1/s1
InChIKey
RGYMYJITHXYRMA-SCSAIBSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
41.36
TPSA
52.6

LogP / Solubility

WLOGP
0.49
MLOGP
0.43
XLogP3
0.8
Consensus LogP
0.57
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.75

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
2

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