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CAS 358731-25-6 DICYCLOHEXYL PHTHALATE-3,4,5,6-D4 molecular structure lightbox
CAS RN: 358731-25-6

DICYCLOHEXYL PHTHALATE-3,4,5,6-D4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS358731-25-6
  • Purity/Analytical Methods: >99.0%
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358731-25-6 / dicyclohexyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

Standard CAS: 358731-25-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
358731-25-6
Multi CAS
Yes
Molecular Formula
C20H26O4
Molecular Weight
334.400000
Exact Mass
334.208216
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2/i7D,8D,13D,14D
InChIKey
VOWAEIGWURALJQ-ZZRPVTOQSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
91.02
TPSA
52.6

LogP / Solubility

WLOGP
4.67
MLOGP
4.12
XLogP3
5.2
Consensus LogP
4.66
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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