[email protected]
CAS 124999-48-0 Methyl 3-(1-Methyl-2-imidazolyl)-3-oxopropionate molecular structure lightbox
CAS RN: 124999-48-0

Methyl 3-(1-Methyl-2-imidazolyl)-3-oxopropionate

  • Product code: SSC-029425
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, 0.25g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 124999-48-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

124999-48-0 / methyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate

Standard CAS: 124999-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124999-48-0
Multi CAS
No
Molecular Formula
C8H10N2O3
Molecular Weight
182.180000
Exact Mass
182.069142
SMILES
CN1C=CN=C1C(=O)CC(=O)OC
InChI
InChI=1S/C8H10N2O3/c1-10-4-3-9-8(10)6(11)5-7(12)13-2/h3-4H,5H2,1-2H3
InChIKey
DKILAHBHAICVRS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
44.17
TPSA
61.19

LogP / Solubility

WLOGP
0.17
MLOGP
0.14
XLogP3
0.1
Consensus LogP
0.14
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.71

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