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CAS 55704-60-4 DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE molecular structure lightbox
CAS RN: 55704-60-4

DIETHYL 4-OXOCYCLOHEXANE-1,1-DICARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-163650
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 55704-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
25g >95% 5 In Stock Shanghai Inquiry
100g >95% 5 In Stock Shanghai Inquiry
500g >95% 0 Out of Stock Beijing Inquiry

55704-60-4 / diethyl 4-oxocyclohexane-1,1-dicarboxylate

Standard CAS: 55704-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55704-60-4
Multi CAS
No
Molecular Formula
C12H18O5
Molecular Weight
242.270000
Exact Mass
242.115424
InChI
InChI=1S/C12H18O5/c1-3-16-10(14)12(11(15)17-4-2)7-5-9(13)6-8-12/h3-8H2,1-2H3
InChIKey
GDAVCKWOYPPSEU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
59.17
TPSA
69.67

LogP / Solubility

WLOGP
1.24
MLOGP
1.1
XLogP3
0.9
Consensus LogP
1.08
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-3.32

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
1.5

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