CAS RN: 223555-87-1
4-(4-Bromophenyl)-3,6-Dihydro-2H-Pyran
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-109010
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: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
223555-87-1 / 4-(4-bromophenyl)-3,6-dihydro-2H-pyran
Basic Information
CAS
223555-87-1
Multi CAS
No
Molecular Formula
C11H11BrO
Molecular Weight
239.110000
Exact Mass
237.999330
SMILES
C1COCC=C1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5H,6-8H2
InChIKey
QXESULAHCHRLFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
57.56
TPSA
9.23
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.6
Consensus LogP
2.91
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
