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CAS 6515-06-6 3,4-Bis(methoxymethoxy)benzaldehyde molecular structure lightbox
CAS RN: 6515-06-6

3,4-Bis(methoxymethoxy)benzaldehyde

  • Product code: SSC-174806
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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 6515-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

6515-06-6 / 3,4-bis(methoxymethoxy)benzaldehyde

Standard CAS: 6515-06-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6515-06-6
Multi CAS
No
Molecular Formula
C11H14O5
Molecular Weight
226.230000
Exact Mass
226.084124
InChI
InChI=1S/C11H14O5/c1-13-7-15-10-4-3-9(6-12)5-11(10)16-8-14-2/h3-6H,7-8H2,1-2H3
InChIKey
RYTSFSLVJDNOHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
56.84
TPSA
53.99

LogP / Solubility

WLOGP
1.46
MLOGP
1.29
XLogP3
1.5
Consensus LogP
1.42
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-3.06

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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