![CAS 464913-33-5 3-[(2-ETHOXY-3,4-DIOXO-1-CYCLOBUTEN-1-YL)AMINO]-2-HYDROXY-N,N-DIMETHYL-BENZAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/464913-33-5.gif)
CAS RN: 464913-33-5
3-[(2-ETHOXY-3,4-DIOXO-1-CYCLOBUTEN-1-YL)AMINO]-2-HYDROXY-N,N-DIMETHYL-BENZAMIDE
- Product code: SSC-153869
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 | Hong Kong | Inquiry |
464913-33-5 / 3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
Basic Information
CAS
464913-33-5
Multi CAS
Yes
Molecular Formula
C15H16N2O5
Molecular Weight
304.300000
Exact Mass
304.105922
InChI
InChI=1S/C15H16N2O5/c1-4-22-14-10(12(19)13(14)20)16-9-7-5-6-8(11(9)18)15(21)17(2)3/h5-7,16,18H,4H2,1-3H3
InChIKey
SJEPOPXPKRWVQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
81.93
TPSA
95.94
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
1.5
Consensus LogP
1.02
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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