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CAS 76779-67-4 1,2:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNITOL molecular structure lightbox
CAS RN: 76779-67-4

1,2:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNITOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250320 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-186190
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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: 25g
  • 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 76779-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

76779-67-4 / 1,2-bis(1,4-dioxaspiro[4.5]decan-3-yl)ethane-1,2-diol

Standard CAS: 76779-67-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76779-67-4
Multi CAS
Yes
Molecular Formula
C18H30O6
Molecular Weight
342.400000
Exact Mass
342.204239
InChI
InChI=1S/C18H30O6/c19-15(13-11-21-17(23-13)7-3-1-4-8-17)16(20)14-12-22-18(24-14)9-5-2-6-10-18/h13-16,19-20H,1-12H2/t13-,14-,15-,16-/m1/s1
InChIKey
DFWHMBZZFDLOTN-KLHDSHLOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.3
TPSA
77.38

LogP / Solubility

WLOGP
1.86
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
7

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