[email protected]
CAS 682-11-1 TRIMETHYLOLPROPANE MONOALLYL ETHER molecular structure lightbox
CAS RN: 682-11-1

TRIMETHYLOLPROPANE MONOALLYL ETHER

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250313 100ml In stock Inquiry
Batchno.20260506 2.5L In stock Inquiry
Batchno.20250307 25ml In stock Inquiry
Batchno.20250731 500ml In stock Inquiry
  • Product code: SSC-177917
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 682-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

682-11-1 / 2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol

Standard CAS: 682-11-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
682-11-1
Multi CAS
Yes
Molecular Formula
C9H18O3
Molecular Weight
174.240000
Exact Mass
174.125594
InChI
InChI=1S/C9H18O3/c1-3-5-12-8-9(4-2,6-10)7-11/h3,10-11H,1,4-8H2,2H3
InChIKey
LZDXRPVSAKWYDH-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.91
TPSA
49.69

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.4
Consensus LogP
0.49
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.11
Class (SILICOS-IT)
Moderately 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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us