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CAS 1224886-44-5 Benzyl (4-(1,3-dioxolan-2-yl)phenyl)carbamate molecular structure lightbox
CAS RN: 1224886-44-5

Benzyl (4-(1,3-dioxolan-2-yl)phenyl)carbamate

  • Product code: SSC-025425
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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 1224886-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1224886-44-5 / benzyl N-[4-(1,3-dioxolan-2-yl)phenyl]carbamate

Standard CAS: 1224886-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1224886-44-5
Multi CAS
No
Molecular Formula
C17H17NO4
Molecular Weight
299.320000
Exact Mass
299.115758
SMILES
C1COC(O1)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H17NO4/c19-17(22-12-13-4-2-1-3-5-13)18-15-8-6-14(7-9-15)16-20-10-11-21-16/h1-9,16H,10-12H2,(H,18,19)
InChIKey
BRSRUIIKALCHBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.34
TPSA
56.79

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
2.4
Consensus LogP
2.98
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07

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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