[email protected]
CAS 1604-11-1 DIMETHYL METHYLSUCCINATE molecular structure lightbox
CAS RN: 1604-11-1

DIMETHYL METHYLSUCCINATE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260424 10g In stock Inquiry
Batchno.20250630 1g In stock Inquiry
Batchno.20250607 25g Out of stock Inquiry
Batchno.20250908 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251110 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-068391
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 1604-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

1604-11-1 / dimethyl 2-methylbutanedioate

Standard CAS: 1604-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1604-11-1
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
CC(CC(=O)OC)C(=O)OC
InChI
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3
InChIKey
NFOQJNGQQXICBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
37.81
TPSA
52.6

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.4
Consensus LogP
0.36
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us