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CAS 96149-05-2 (1S)-(+)-DIMENTHYL SUCCINATE molecular structure lightbox
CAS RN: 96149-05-2

(1S)-(+)-DIMENTHYL SUCCINATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250920 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS96149-05-2
  • Purity/Analytical Methods: >99.0%
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96149-05-2 / bis(5-methyl-2-propan-2-ylcyclohexyl) butanedioate

Standard CAS: 96149-05-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96149-05-2
Multi CAS
Yes
Molecular Formula
C24H42O4
Molecular Weight
394.600000
Exact Mass
394.308310
InChI
InChI=1S/C24H42O4/c1-15(2)19-9-7-17(5)13-21(19)27-23(25)11-12-24(26)28-22-14-18(6)8-10-20(22)16(3)4/h15-22H,7-14H2,1-6H3
InChIKey
YZXZAUAIVAZWFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.92
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
111.68
TPSA
52.6

LogP / Solubility

WLOGP
5.77
MLOGP
5.1
XLogP3
6.8
Consensus LogP
5.89
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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