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CAS 1415564-99-6 5-((4-broMo-2-fluorophenyl)aMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylic acid molecular structure lightbox
CAS RN: 1415564-99-6

5-((4-broMo-2-fluorophenyl)aMino)-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-051905
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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: ≥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 1415564-99-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1415564-99-6 / 6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylbenzimidazole-5-carboxylic acid

Standard CAS: 1415564-99-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1415564-99-6
Multi CAS
No
Molecular Formula
C15H10BrF2N3O2
Molecular Weight
382.160000
Exact Mass
380.992450
SMILES
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)O
InChI
InChI=1S/C15H10BrF2N3O2/c1-21-6-19-14-11(21)5-8(15(22)23)13(12(14)18)20-10-3-2-7(16)4-9(10)17/h2-6,20H,1H3,(H,22,23)
InChIKey
YBTSZTNYTYAQKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
85.01
TPSA
67.15

LogP / Solubility

WLOGP
4.06
MLOGP
3.59
XLogP3
4
Consensus LogP
3.88
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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