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CAS 1095274-55-7 ethyl 3-bromo-5-chlorobenzoate molecular structure lightbox
CAS RN: 1095274-55-7

ethyl 3-bromo-5-chlorobenzoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 1g In stock Shanghai Inquiry
  • Product code: SSC-010913
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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 1095274-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1095274-55-7 / ethyl 3-bromo-5-chlorobenzoate

Ethyl 3-Bromo-5-chlorobenzoate | MFCD10566220 | 3-Bromo-5-chloro-benzoic acid ethyl ester

Standard CAS: 1095274-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095274-55-7
Multi CAS
No
Molecular Formula
C9H8BrClO2
Molecular Weight
263.510000
Exact Mass
261.939620
SMILES
CCOC(=O)C1=CC(=CC(=C1)Br)Cl
InChI
InChI=1S/C9H8BrClO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChIKey
PQIMKYGTOMCPME-UHFFFAOYSA-N
Synonyms
Ethyl 3-Bromo-5-chlorobenzoate MFCD10566220 3-Bromo-5-chloro-benzoic acid ethyl ester Ethyl3-Bromo-5-chlorobenzoate SCHEMBL4758271

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
55.11
TPSA
26.3

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3.5
Consensus LogP
3.22
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly 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

Drug-likeness / Medicinal Chemistry

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

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