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CAS 89901-03-1 METHYL 4′-BROMO[1,1′-BIPHENYL]-4-CARBOXYLATE molecular structure lightbox
CAS RN: 89901-03-1

METHYL 4′-BROMO[1,1′-BIPHENYL]-4-CARBOXYLATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260110 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-202099
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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 89901-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

89901-03-1 / methyl 4-(4-bromophenyl)benzoate

Standard CAS: 89901-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89901-03-1
Multi CAS
Yes
Molecular Formula
C14H11BRO2
Molecular Weight
291.140000
Exact Mass
289.994240
InChI
InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKey
JHNMJLKCONRGMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
70.92
TPSA
26.3

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
4.6
Consensus LogP
3.98
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

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

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