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CAS 149524-47-0 (3-Fluorophenyl)carbamic acid benzyl ester molecular structure lightbox
CAS RN: 149524-47-0

(3-Fluorophenyl)carbamic acid benzyl ester

  • Product code: SSC-059536
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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: 1g
  • 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 149524-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

149524-47-0 / benzyl N-(3-fluorophenyl)carbamate

Standard CAS: 149524-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149524-47-0
Multi CAS
No
Molecular Formula
C14H12FNO2
Molecular Weight
245.250000
Exact Mass
245.085207
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C14H12FNO2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKey
LHLKGCMCFFJNCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.65
TPSA
38.33

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
2.7
Consensus LogP
3.14
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

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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