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CAS 36256-45-8 Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester molecular structure lightbox
CAS RN: 36256-45-8

Benzoic acid, 5-(2-broMoacetyl)-2-hydroxy-, Methyl ester

  • Product code: SSC-143429
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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 36256-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

36256-45-8 / methyl 5-(2-bromoacetyl)-2-hydroxybenzoate

Standard CAS: 36256-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36256-45-8
Multi CAS
No
Molecular Formula
C10H9BRO4
Molecular Weight
273.080000
Exact Mass
271.968420
InChI
InChI=1S/C10H9BrO4/c1-15-10(14)7-4-6(9(13)5-11)2-3-8(7)12/h2-4,12H,5H2,1H3
InChIKey
YRPHNSODVHXAOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.57
TPSA
63.6

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
2.4
Consensus LogP
1.9
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-3.14

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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