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CAS 5043-29-8 Methyl 4-bromo-2-naphthoate molecular structure lightbox
CAS RN: 5043-29-8

Methyl 4-bromo-2-naphthoate

  • Product code: SSC-156971
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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 5043-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

5043-29-8 / methyl 4-bromonaphthalene-2-carboxylate

Standard CAS: 5043-29-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5043-29-8
Multi CAS
Yes
Molecular Formula
C12H9BRO2
Molecular Weight
265.100000
Exact Mass
263.978590
InChI
InChI=1S/C12H9BrO2/c1-15-12(14)9-6-8-4-2-3-5-10(8)11(13)7-9/h2-7H,1H3
InChIKey
XJBIPEKBFHLNHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.99
TPSA
26.3

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.7
Consensus LogP
3.36
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93

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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