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CAS 168828-81-7 Benzyl (3-Fluoro-4-morpholinophenyl)carbamate molecular structure lightbox
CAS RN: 168828-81-7

Benzyl (3-Fluoro-4-morpholinophenyl)carbamate

  • Product code: SSC-073551
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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: 5g, 25g, 100g, 1000g
  • Available purity: ≥98%
  • 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 168828-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 3 In Stock Shenzhen Inquiry
5g ≥98% 3 In Stock Shenzhen Inquiry
25g -- 1 In Stock Beijing Inquiry
25g ≥98% 1 In Stock Shenzhen Inquiry
100g -- 0 Out of Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

168828-81-7 / benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

Standard CAS: 168828-81-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
168828-81-7
Multi CAS
No
Molecular Formula
C18H19FN2O3
Molecular Weight
330.400000
Exact Mass
330.137971
SMILES
C1COCCN1C2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F
InChI
InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKey
XKGUZGHMWUIYDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.68
TPSA
50.8

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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