[email protected]
CAS 39994-40-6 2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACID DIMETHYL ESTER molecular structure lightbox
CAS RN: 39994-40-6

2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACID DIMETHYL ESTER

  • Product code: SSC-147833
GET A QUOTE
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: 1g, 5g, 10g, 25g, 0.1g, 0.25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 39994-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shanghai Inquiry
5g ≥97% 3 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Shanghai Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry
0.1g ≥97% 1 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry

39994-40-6 / trimethyl 1-methylethane-1,1,2-tricarboxylate

Standard CAS: 39994-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39994-40-6
Multi CAS
No
Molecular Formula
C9H14O6
Molecular Weight
218.200000
Exact Mass
218.079038
InChI
InChI=1S/C9H14O6/c1-9(7(11)14-3,8(12)15-4)5-6(10)13-2/h5H2,1-4H3
InChIKey
PXQFWSGIECHBBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
48.77
TPSA
78.9

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.08
XLogP3
0.4
Consensus LogP
0.07
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-4.12

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

Customers Also Viewed

Get In Touch

Contact Us