[email protected]
CAS 79128-08-8 1,3-DIISOPROPOXYBENZENE molecular structure lightbox
CAS RN: 79128-08-8

1,3-DIISOPROPOXYBENZENE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251020 100g In stock Inquiry
Batchno.20250311 1g In stock Inquiry
Batchno.20250430 25g In stock Inquiry
Batchno.20251031 5g In stock Inquiry
  • Product code: SSC-188348
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: 5g
  • Available purity: ≥97%
  • 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 79128-08-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

79128-08-8 / 1,3-di(propan-2-yloxy)benzene

Standard CAS: 79128-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79128-08-8
Multi CAS
No
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
InChI
InChI=1S/C12H18O2/c1-9(2)13-11-6-5-7-12(8-11)14-10(3)4/h5-10H,1-4H3
InChIKey
REKFSOLBSHAFDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
57.97
TPSA
18.46

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.8
Consensus LogP
3.31
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly 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)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us