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CAS 227963-57-7 ETHYL 3-(2-AMINO-5-BROMOPYRIDIN-3-YL)ACRYLATE molecular structure lightbox
CAS RN: 227963-57-7

ETHYL 3-(2-AMINO-5-BROMOPYRIDIN-3-YL)ACRYLATE

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250303 1g In stock Inquiry
Batchno.20260601 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS227963-57-7
  • Purity/Analytical Methods: >99.0%
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227963-57-7 / ethyl (E)-3-(6-amino-3-pyridinyl)prop-2-enoate

Standard CAS: 227963-57-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227963-57-7
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
SMILES
CCOC(=O)/C=C/C1=CN=C(C=C1)N
InChI
InChI=1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)/b6-4+
InChIKey
GXLHWGSBMOMMOD-GQCTYLIASA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.32
TPSA
65.21

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately 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)
-3.01

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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