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CAS 157001-86-0 4-Imidazolidinecarboxylicacid,2-oxo-,methylester,(S)-(9CI) molecular structure lightbox
CAS RN: 157001-86-0

4-Imidazolidinecarboxylicacid,2-oxo-,methylester,(S)-(9CI)

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 1g In stock Shanghai Inquiry
Batchno.20260516 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS157001-86-0
  • Purity/Analytical Methods: >99.0%
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157001-86-0 / methyl (4S)-2-oxoimidazolidine-4-carboxylate

Standard CAS: 157001-86-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
157001-86-0
Multi CAS
No
Molecular Formula
C5H8N2O3
Molecular Weight
144.130000
Exact Mass
144.053492
SMILES
COC(=O)[C@@H]1CNC(=O)N1
InChI
InChI=1S/C5H8N2O3/c1-10-4(8)3-2-6-5(9)7-3/h3H,2H2,1H3,(H2,6,7,9)/t3-/m0/s1
InChIKey
DYARMGVFGYGGSF-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.34
TPSA
67.43

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.03
XLogP3
-0.9
Consensus LogP
-1.03
Log S (ESOL)
0.06
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly 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)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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