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CAS 34212-59-4 (1R)-(-)-DIMENTHYL SUCCINATE molecular structure lightbox
CAS RN: 34212-59-4

(1R)-(-)-DIMENTHYL SUCCINATE

  • Product code: SSC-140459
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 34212-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

34212-59-4 / 4-O-(2-methyl-5-propan-2-ylcyclohexyl) 1-O-(5-methyl-2-propan-2-ylcyclohexyl) butanedioate

Standard CAS: 34212-59-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34212-59-4
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/t17-,18-,19+,20+,21-,22-/m1/s1
InChIKey
YZXZAUAIVAZWFN-KQFPAPQFSA-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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