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CAS 13276-17-0 ACRYLAMIDO BUFFER molecular structure lightbox
CAS RN: 13276-17-0

ACRYLAMIDO BUFFER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS13276-17-0
  • Purity/Analytical Methods: >99.0%
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13276-17-0 / N-(2-morpholin-4-ylethyl)prop-2-enamide

Standard CAS: 13276-17-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13276-17-0
Multi CAS
No
Molecular Formula
C9H16N2O2
Molecular Weight
184.240000
Exact Mass
184.121178
SMILES
C=CC(=O)NCCN1CCOCC1
InChI
InChI=1S/C9H16N2O2/c1-2-9(12)10-3-4-11-5-7-13-8-6-11/h2H,1,3-8H2,(H,10,12)
InChIKey
XWCUDBBUDRNSKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.47
TPSA
41.57

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.34
XLogP3
-0.2
Consensus LogP
-0.31
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-4.11

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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