[email protected]
CAS 77355-01-2 4,4’-(1,5-Pentanediyl)dioxydibenzaldehyde molecular structure lightbox
CAS RN: 77355-01-2

4,4’-(1,5-Pentanediyl)dioxydibenzaldehyde

  • Product code: SSC-186885
GET A QUOTE
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
Request Bulk Quote

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 77355-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

77355-01-2 / 4-[5-(4-formylphenoxy)pentoxy]benzaldehyde

Standard CAS: 77355-01-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77355-01-2
Multi CAS
Yes
Molecular Formula
C19H20O4
Molecular Weight
312.400000
Exact Mass
312.136159
InChI
InChI=1S/C19H20O4/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14-15H,1-3,12-13H2
InChIKey
JZWSXMHKNFDAHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
88.5
TPSA
52.6

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
3.6
Consensus LogP
3.67
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us