CAS RN: 125735-40-2
1-Benzhydryl-3-iodoazetidine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251008 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-030997
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 0.1g, 0.25g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
125735-40-2 / 1-benzhydryl-3-iodoazetidine
Basic Information
CAS
125735-40-2
Multi CAS
No
Molecular Formula
C16H16IN
Molecular Weight
349.210000
Exact Mass
349.032750
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)I
InChI
InChI=1S/C16H16IN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
IBCVAYQWXMWFLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
84.11
TPSA
3.24
LogP / Solubility
WLOGP
3.9
MLOGP
3.45
XLogP3
4.2
Consensus LogP
3.85
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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