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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1324000-40-9 / benzyl N-(1-phenylcyclopropyl)carbamate
Basic Information
CAS
1324000-40-9
Multi CAS
No
Molecular Formula
C17H17NO2
Molecular Weight
267.320000
Exact Mass
267.125929
SMILES
C1CC1(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H17NO2/c19-16(20-13-14-7-3-1-4-8-14)18-17(11-12-17)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKey
PCIOJNFEBGVQOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.12
TPSA
38.33
LogP / Solubility
WLOGP
3.6
MLOGP
3.18
XLogP3
3.3
Consensus LogP
3.36
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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