[email protected]
CAS 150726-89-9 Dimethyl 2-(2-methoxyphenoxy)malonate molecular structure lightbox
CAS RN: 150726-89-9

Dimethyl 2-(2-methoxyphenoxy)malonate

  • Product code: SSC-060647
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: 5g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 150726-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

150726-89-9 / dimethyl 2-(2-methoxyphenoxy)propanedioate

Standard CAS: 150726-89-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
150726-89-9
Multi CAS
No
Molecular Formula
C12H14O6
Molecular Weight
254.240000
Exact Mass
254.079038
SMILES
COC1=CC=CC=C1OC(C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3
InChIKey
SBUXKADXTZOBJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
61.44
TPSA
71.06

LogP / Solubility

WLOGP
0.79
MLOGP
0.7
XLogP3
1.9
Consensus LogP
1.13
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-3.71

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us