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CAS 1363166-10-2 Methyl 3,5-DibroMo-2-(trifluoroacetaMido)benzoate molecular structure lightbox
CAS RN: 1363166-10-2

Methyl 3,5-DibroMo-2-(trifluoroacetaMido)benzoate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045226
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1363166-10-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry

1363166-10-2 / methyl 3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]benzoate

Standard CAS: 1363166-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-10-2
Multi CAS
No
Molecular Formula
C10H6Br2F3NO3
Molecular Weight
404.960000
Exact Mass
404.864600
SMILES
COC(=O)C1=C(C(=CC(=C1)Br)Br)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H6Br2F3NO3/c1-19-8(17)5-2-4(11)3-6(12)7(5)16-9(18)10(13,14)15/h2-3H,1H3,(H,16,18)
InChIKey
CFFDNUDERDYOFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.87
TPSA
55.4

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
4
Consensus LogP
3.53
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

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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