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CAS 1096880-75-9 5-Fluoro-2-morpholinobenzoic Acid molecular structure lightbox
CAS RN: 1096880-75-9

5-Fluoro-2-morpholinobenzoic Acid

  • Product code: SSC-011044
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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: 0.25g, 5g, 1g
  • Available purity: >97%
  • 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 1096880-75-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry

1096880-75-9 / 5-fluoro-2-morpholin-4-ylbenzoic acid

5-fluoro-2-morpholinobenzoic acid | 5-fluoro-2-(morpholin-4-yl)benzoic acid | MFCD11639774

Standard CAS: 1096880-75-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1096880-75-9
Multi CAS
Yes
Molecular Formula
C11H12FNO3
Molecular Weight
225.220000
Exact Mass
225.080121
SMILES
C1COCCN1C2=C(C=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H12FNO3/c12-8-1-2-10(9(7-8)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKey
WNAOSSZZNGQFBY-UHFFFAOYSA-N
Synonyms
5-fluoro-2-morpholinobenzoic acid 5-fluoro-2-(morpholin-4-yl)benzoic acid MFCD11639774 5-fluoro-2-morpholin-4-ylbenzoic acid SCHEMBL17478873

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.39
TPSA
49.77

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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