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CAS 1035123-89-7 3-(6-BroMopyridin-3-yl)acrylic acid molecular structure lightbox
CAS RN: 1035123-89-7

3-(6-BroMopyridin-3-yl)acrylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-005073
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1035123-89-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1035123-89-7 / (E)-3-(6-bromo-3-pyridinyl)prop-2-enoic acid

3-(6-bromopyridin-3-yl)prop-2-enoic acid | MFCD11504804 | 3-(6-bromo-pyridin-3-yl)-acrylic acid

Standard CAS: 1035123-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1035123-89-7
Multi CAS
Yes
Molecular Formula
C8H6BrNO2
Molecular Weight
228.040000
Exact Mass
226.958190
SMILES
C1=CC(=NC=C1/C=C/C(=O)O)Br
InChI
InChI=1S/C8H6BrNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H,11,12)
InChIKey
MZIMKUQFGDVIID-UHFFFAOYSA-N
Synonyms
3-(6-bromopyridin-3-yl)prop-2-enoic acid MFCD11504804 3-(6-bromo-pyridin-3-yl)-acrylic acid (2E)-3-(6-BROMOPYRIDIN-3-YL)PROP-2-ENOIC ACID SCHEMBL527594

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.61
TPSA
50.19

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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