CAS RN: 473727-83-2
(R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260109 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251110 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260508 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260209 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260626 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251022 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251019 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS473727-83-2
- Purity/Analytical Methods: >99.0%
473727-83-2 / 2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
Basic Information
CAS
473727-83-2
Multi CAS
Yes
Molecular Formula
C21H23N3O5
Molecular Weight
397.400000
Exact Mass
397.163771
InChI
InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
InChIKey
RXIUEIPPLAFSDF-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
110.86
TPSA
111.88
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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