CAS RN: 4887-13-2
N,N-`Bisacrylamido-1,3-propan
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.20251130 | 25mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4887-13-2
- Purity/Analytical Methods: >99.0%
4887-13-2 / N-[3-(prop-2-enoylamino)propyl]prop-2-enamide
Basic Information
CAS
4887-13-2
Multi CAS
No
Molecular Formula
C9H14N2O2
Molecular Weight
182.220000
Exact Mass
182.105528
InChI
InChI=1S/C9H14N2O2/c1-3-8(12)10-6-5-7-11-9(13)4-2/h3-4H,1-2,5-7H2,(H,10,12)(H,11,13)
InChIKey
GJQRYIOSVPEUQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.03
TPSA
58.2
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.02
XLogP3
0.4
Consensus LogP
0.12
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85
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
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6-(2,5-DIOXO-PYRROLIDIN-1-YL)-HEXANOIC ACID
- CAS RN: 4887-54-1
- Product Code: starshine_CAS4887-54-1
- Purity/Analytical method: >99.0%
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