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CAS 1434128-48-9 Methyl 5-Bromo-3-(2-chloroacetyl)-2-hydroxybenzoate molecular structure lightbox
CAS RN: 1434128-48-9

Methyl 5-Bromo-3-(2-chloroacetyl)-2-hydroxybenzoate

  • Product code: SSC-054836
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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: 5g
  • Available purity: ≥95%
  • 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 1434128-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1434128-48-9 / methyl 5-bromo-3-(2-chloroacetyl)-2-hydroxybenzoate

Standard CAS: 1434128-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1434128-48-9
Multi CAS
No
Molecular Formula
C10H8BrClO4
Molecular Weight
307.520000
Exact Mass
305.929450
SMILES
COC(=O)C1=CC(=CC(=C1O)C(=O)CCl)Br
InChI
InChI=1S/C10H8BrClO4/c1-16-10(15)7-3-5(11)2-6(9(7)14)8(13)4-12/h2-3,14H,4H2,1H3
InChIKey
BIFIHCOXTFGJCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.2
TPSA
63.6

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
3
Consensus LogP
2.48
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92

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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