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CAS 763114-26-7 2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid molecular structure lightbox
CAS RN: 763114-26-7

2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)Methyl)benzoic acid

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 100g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250728 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251230 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250527 250mg In stock Shanghai Inquiry
Batchno.20250506 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260201 500g In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-185756
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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, 25g, 10g, 5g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 763114-26-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
25g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

763114-26-7 / 2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid

Standard CAS: 763114-26-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
763114-26-7
Multi CAS
Yes
Molecular Formula
C16FH11N2O3
Molecular Weight
298.270000
Exact Mass
298.075370
InChI
InChI=1S/C16H11FN2O3/c17-13-6-5-9(7-12(13)16(21)22)8-14-10-3-1-2-4-11(10)15(20)19-18-14/h1-7H,8H2,(H,19,20)(H,21,22)
InChIKey
PAXLJNGPFJEKQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
78.53
TPSA
83.05

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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