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CAS 3399-21-1 CIS-1,4-DIMETHYL CYCLOHEXANEDICARBOXYLATE molecular structure lightbox
CAS RN: 3399-21-1

CIS-1,4-DIMETHYL CYCLOHEXANEDICARBOXYLATE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251129 1g In stock Inquiry
Batchno.20260218 250mg In stock Inquiry
Batchno.20260621 5g In stock Inquiry
  • Product code: SSC-140202
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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: 1g
  • 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 3399-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3399-21-1 / dimethyl cyclohexane-1,4-dicarboxylate

Standard CAS: 3399-21-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3399-21-1
Multi CAS
Yes
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
InChI
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
InChIKey
LNGAGQAGYITKCW-UHFFFAOYSA-N

Physical Properties

Melting Point
14 °C (cis-isomer), 71 °C (trans-isomer)
Boiling Point
265 °C (mixed isomer)
Density
Specific gravity: 1.102 at 35 °C/4 °C Density: 1.095 - 1.097 g/cu cm at 30 °C
Physical Description
Other Solid Liquid Solid; [HSDB] Clear colorless liquid; mp = 24-27 deg C
Appearance
Partially crystalline solid Clear colorless liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.48
TPSA
52.6

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.13

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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