![CAS 1613307-26-8 Acetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613307-26-8.gif)
CAS RN: 1613307-26-8
Acetic acid, 2-hydroxy-, 2-[(methylamino)carbonyl]hydrazide
- Product code: SSC-069015
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1613307-26-8 / 1-[(2-hydroxyacetyl)amino]-3-methylurea
Basic Information
CAS
1613307-26-8
Multi CAS
No
Molecular Formula
C4H9N3O3
Molecular Weight
147.130000
Exact Mass
147.064391
SMILES
CNC(=O)NNC(=O)CO
InChI
InChI=1S/C4H9N3O3/c1-5-4(10)7-6-3(9)2-8/h8H,2H2,1H3,(H,6,9)(H2,5,7,10)
InChIKey
UTTHWAWJTFTVKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
4
Molar refractivity
32.82
TPSA
90.46
LogP / Solubility
WLOGP
-2.06
MLOGP
-1.82
XLogP3
-1.8
Consensus LogP
-1.89
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.97
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)
-5.08
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
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 6 of 6 companies. For more detailed information, please visit ECHA C&L website.
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![CAS 1613382-10-7 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethyl]amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613382-10-7.gif)