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CAS 325461-35-6 2 5-BIS(3′ 7′-DIMETHYLOCTYLOXY)TEREPHTA& molecular structure lightbox
CAS RN: 325461-35-6

2 5-BIS(3′ 7′-DIMETHYLOCTYLOXY)TEREPHTA&

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-138153
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 325461-35-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

325461-35-6 / 2,5-bis(3,7-dimethyloctoxy)terephthalaldehyde

Standard CAS: 325461-35-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
325461-35-6
Multi CAS
No
Molecular Formula
C28H46O4
Molecular Weight
446.700000
Exact Mass
446.339610
InChI
InChI=1S/C28H46O4/c1-21(2)9-7-11-23(5)13-15-31-27-17-26(20-30)28(18-25(27)19-29)32-16-14-24(6)12-8-10-22(3)4/h17-24H,7-16H2,1-6H3
InChIKey
JMACLBZCZVVLDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
133.15
TPSA
52.6

LogP / Solubility

WLOGP
7.77
MLOGP
6.87
XLogP3
9
Consensus LogP
7.88
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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