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CAS 101184-09-2 1,3-DIHYDRO-IMIDAZOL-2-ONE-5-METHYL-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 101184-09-2

1,3-DIHYDRO-IMIDAZOL-2-ONE-5-METHYL-4-CARBOXYLIC ACID

  • Product code: SSC-002034
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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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 101184-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

101184-09-2 / 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylic acid

5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid | DTXSID10543832 | 2,3-Dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid

Standard CAS: 101184-09-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101184-09-2
Multi CAS
Yes
Molecular Formula
C5H6N2O3
Molecular Weight
142.110000
Exact Mass
142.037842
SMILES
CC1=C(NC(=O)N1)C(=O)O
InChI
InChI=1S/C5H6N2O3/c1-2-3(4(8)9)7-5(10)6-2/h1H3,(H,8,9)(H2,6,7,10)
InChIKey
MBAYTADLKKKKRY-UHFFFAOYSA-N
Synonyms
5-methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid DTXSID10543832 2,3-Dihydro-5-methyl-2-oxo-1H-imidazole-4-carboxylic acid RefChem:537024 DTXCID50494617

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
33.11
TPSA
85.95

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.7
Consensus LogP
-0.42
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.79

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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

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