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CAS 912760-74-8 3-(2-AMINO-5-BROMO-PYRIDIN-3-YL)-ACRYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 912760-74-8

3-(2-AMINO-5-BROMO-PYRIDIN-3-YL)-ACRYLIC ACID METHYL ESTER

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 1g In stock Inquiry
Batchno.20260612 250mg In stock Inquiry
Batchno.20260303 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS912760-74-8
  • Purity/Analytical Methods: >99.0%
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912760-74-8 / methyl (E)-3-(2-amino-5-bromo-3-pyridinyl)prop-2-enoate

Standard CAS: 912760-74-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
912760-74-8
Multi CAS
Yes
Molecular Formula
BC9H9O2Rn2
Molecular Weight
257.080000
Exact Mass
255.984740
InChI
InChI=1S/C9H9BrN2O2/c1-14-8(13)3-2-6-4-7(10)5-12-9(6)11/h2-5H,1H3,(H2,11,12)/b3-2+
InChIKey
WJNCXHOWXDOKDL-NSCUHMNNSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.4
TPSA
65.21

LogP / Solubility

WLOGP
1.61
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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