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CAS 5124-30-1 Dicyclohexylmethane 4,4′-Diisocyanate (mixture of isomers) molecular structure lightbox
CAS RN: 5124-30-1

Dicyclohexylmethane 4,4′-Diisocyanate (mixture of isomers)

  • Product code: SSC-158073
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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: 100g
  • 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 5124-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

5124-30-1 / 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane

Standard CAS: 5124-30-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5124-30-1
Multi CAS
Yes
Molecular Formula
C15H22N2O2
Molecular Weight
262.350000
Exact Mass
262.168128
InChI
InChI=1S/C15H22N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h12-15H,1-9H2
InChIKey
KORSJDCBLAPZEQ-UHFFFAOYSA-N

Physical Properties

Melting Point
less than 14 °F (NIOSH, 2024)
Density
1.07 at 77 °F (NIOSH, 2024) - Denser than water; will sink 1.066 g/cu cm 1.07 at 77 °F (77 °F): 1.07
Physical Description
1,1-methylene bis(4-isocyanatocyclohexane) is a clear, colorless to light-yellow liquid. (NIOSH, 2024) Liquid Clear, colorless to light-yellow liquid; [NIOSH] Clear, colorless to light-yellow liquid.
Appearance
Clear, colorless to light-yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.87
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
72.35
TPSA
58.86

LogP / Solubility

WLOGP
3.17
MLOGP
2.79
XLogP3
5.3
Consensus LogP
3.75
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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