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CAS 4427-97-8 Dicyclohexyl carbonate molecular structure lightbox
CAS RN: 4427-97-8

Dicyclohexyl carbonate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250617 1g In stock Inquiry
Batchno.20251014 25g In stock Inquiry
Batchno.20250711 5g In stock Inquiry
  • Product code: SSC-152253
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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: 5g
  • Available purity: ≥95%
  • 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 4427-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

4427-97-8 / dicyclohexyl carbonate

Standard CAS: 4427-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4427-97-8
Multi CAS
No
Molecular Formula
C13H22O3
Molecular Weight
226.310000
Exact Mass
226.156895
InChI
InChI=1S/C13H22O3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
FYIBPWZEZWVDQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.31
TPSA
35.53

LogP / Solubility

WLOGP
3.81
MLOGP
3.35
XLogP3
4.1
Consensus LogP
3.75
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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