[email protected]
CAS 132774-52-8 MESS molecular structure lightbox
CAS RN: 132774-52-8

MESS

  • Product code: SSC-039550
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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 132774-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

132774-52-8 / 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(2,5-dioxopyrrol-1-yl)ethyl] butanedioate

Standard CAS: 132774-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132774-52-8
Multi CAS
No
Molecular Formula
C14H14N2O8
Molecular Weight
338.270000
Exact Mass
338.075015
SMILES
C1CC(=O)N(C1=O)OC(=O)CCC(=O)OCCN2C(=O)C=CC2=O
InChI
InChI=1S/C14H14N2O8/c17-9-1-2-10(18)15(9)7-8-23-13(21)5-6-14(22)24-16-11(19)3-4-12(16)20/h1-2H,3-8H2
InChIKey
HLYQBBSYKLLKAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
73.23
TPSA
127.36

LogP / Solubility

WLOGP
-1.16
MLOGP
-1
XLogP3
-1.8
Consensus LogP
-1.32
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61

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
2.5

Customers Also Viewed

Get In Touch

Contact Us