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CAS 1020252-76-9 3-broMo-2-Methoxy-5-(trifluoroMethyl)pyridine molecular structure lightbox
CAS RN: 1020252-76-9

3-broMo-2-Methoxy-5-(trifluoroMethyl)pyridine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-003260
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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: 10g
  • 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 1020252-76-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1020252-76-9 / N-benzyl-4-bromo-3-methylbenzamide

N-Benzyl-4-bromo-3-methylbenzamide | N-BENZYL 4-BROMO-3-METHYLBENZAMIDE | MFCD09972121

Standard CAS: 1020252-76-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1020252-76-9
Multi CAS
No
Molecular Formula
C15H14BrNO
Molecular Weight
304.180000
Exact Mass
303.025880
SMILES
CC1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2)Br
InChI
InChI=1S/C15H14BrNO/c1-11-9-13(7-8-14(11)16)15(18)17-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)
InChIKey
HTUDBCRKTUDBSQ-UHFFFAOYSA-N
Synonyms
N-Benzyl-4-bromo-3-methylbenzamide N-BENZYL 4-BROMO-3-METHYLBENZAMIDE MFCD09972121 Benzamide, 4-bromo-3-methyl-N-(phenylmethyl)- DTXSID80674384

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.49
TPSA
29.1

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3.7
Consensus LogP
3.55
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

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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