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CAS 1156264-10-6 3,4-Difluoro-N-(2-hydroxypropyl)benzaMide molecular structure lightbox
CAS RN: 1156264-10-6

3,4-Difluoro-N-(2-hydroxypropyl)benzaMide

  • Product code: SSC-015391
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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, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1156264-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1156264-10-6 / 3,4-difluoro-N-(2-hydroxypropyl)benzamide

3,4-Difluoro-N-(2-hydroxypropyl)benzamide | MFCD11936927 | Benzamide, 3,4-difluoro-N-(2-hydroxypropyl)-

Standard CAS: 1156264-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1156264-10-6
Multi CAS
Yes
Molecular Formula
C10H11F2NO2
Molecular Weight
215.200000
Exact Mass
215.075785
SMILES
CC(CNC(=O)C1=CC(=C(C=C1)F)F)O
InChI
InChI=1S/C10H11F2NO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKey
AXSHANRGIKUWJU-UHFFFAOYSA-N
Synonyms
3,4-Difluoro-N-(2-hydroxypropyl)benzamide MFCD11936927 Benzamide, 3,4-difluoro-N-(2-hydroxypropyl)- AKOS009213935 AS-32157

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.37
TPSA
49.33

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1.1
Consensus LogP
1.04
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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