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CAS 172900-75-3 Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)- molecular structure lightbox
CAS RN: 172900-75-3

Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260311 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-075973
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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: 5g
  • Available purity: ＞97%
  • 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 172900-75-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

172900-75-3 / 4-methoxy-3-(3-methoxypropoxy)benzaldehyde

Standard CAS: 172900-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172900-75-3
Multi CAS
No
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
SMILES
COCCCOC1=C(C=CC(=C1)C=O)OC
InChI
InChI=1S/C12H16O4/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
RBSXHAWCVPPVNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
60.37
TPSA
44.76

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
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)
-2.72

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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