CAS RN: 156755-23-6
6-BroMo-3,4-dihydro-4-phenyl-2H-1-benzopyran-2-one
- Product code: SSC-065875
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, 5g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | -- | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
156755-23-6 / 6-bromo-4-phenyl-3,4-dihydrochromen-2-one
Basic Information
CAS
156755-23-6
Multi CAS
No
Molecular Formula
C15H11BrO2
Molecular Weight
303.150000
Exact Mass
301.994240
SMILES
C1C(C2=C(C=CC(=C2)Br)OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKey
KFKFQGCDFMGUCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.68
TPSA
26.3
LogP / Solubility
WLOGP
3.89
MLOGP
3.44
XLogP3
3.8
Consensus LogP
3.71
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
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
2
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