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CAS 1272756-24-7 Benzyl 2-Fluoro-4-Morpholinobenzoate molecular structure lightbox
CAS RN: 1272756-24-7

Benzyl 2-Fluoro-4-Morpholinobenzoate

  • Product code: SSC-034809
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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: 5g
  • 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 1272756-24-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1272756-24-7 / benzyl 2-fluoro-4-morpholin-4-ylbenzoate

Standard CAS: 1272756-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1272756-24-7
Multi CAS
No
Molecular Formula
C18H18FNO3
Molecular Weight
315.300000
Exact Mass
315.127072
SMILES
C1COCCN1C2=CC(=C(C=C2)C(=O)OCC3=CC=CC=C3)F
InChI
InChI=1S/C18H18FNO3/c19-17-12-15(20-8-10-22-11-9-20)6-7-16(17)18(21)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKey
NXTXMWHBBCWSEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
84.99
TPSA
38.77

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
3.1
Consensus LogP
2.93
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-2.5

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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