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: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2385-38-8 / 1-benzylimidazolidin-2-one
Basic Information
CAS
2385-38-8
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
C1CN(C(=O)N1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)
InChIKey
IXNSPEIJKZNYLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.25
TPSA
32.34
LogP / Solubility
WLOGP
1.21
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.02
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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Liensinine perchlorate
- CAS RN: 2385-63-9
- Product Code: starshine_CAS2385-63-9
- Purity/Analytical method: >99.0%
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