CAS RN: 105-61-3
N-CARBAMOYLMALEAMIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250216 | 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS105-61-3
- Purity/Analytical Methods: >99.0%
105-61-3 / (Z)-4-(carbamoylamino)-4-oxobut-2-enoic acid
AI332778;Maleylurea | SCHEMBL989815 | DB-040639
Basic Information
CAS
105-61-3
Multi CAS
Yes
Molecular Formula
C5H6N2O4
Molecular Weight
158.110000
Exact Mass
158.032757
SMILES
C(=C\C(=O)O)\C(=O)NC(=O)N
InChI
InChI=1S/C5H6N2O4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H,(H,9,10)(H3,6,7,8,11)/b2-1-
InChIKey
GWGLGTKSTGSWGQ-UPHRSURJSA-N
Synonyms
AI332778;Maleylurea
SCHEMBL989815
DB-040639
Computed Properties
Structural Parameters
Heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.5
TPSA
109.49
LogP / Solubility
WLOGP
-1.18
MLOGP
-1.04
XLogP3
-0.9
Consensus LogP
-1.04
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
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)
-4.52
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
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (90.7%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
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