CAS RN: 52490-15-0
2-Butyl-3-(4-hydroxybenzoyl)benzofuran
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-159608
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: 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
52490-15-0 / (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
Basic Information
CAS
52490-15-0
Multi CAS
Yes
Molecular Formula
C19H18O3
Molecular Weight
294.300000
Exact Mass
294.125594
InChI
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
InChIKey
ZHGKQUXXASLVQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.37
TPSA
50.44
LogP / Solubility
WLOGP
4.71
MLOGP
4.16
XLogP3
5.2
Consensus LogP
4.69
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 205-39-0 Benzo[b]naphtho[1,2-d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b5884-jpgcontextbwfzdgvyfhjvb3r8mzk4mzj8aw1hz2uvanblz3xozdmvadm4lzg5mjkymje3mzg1mjyvqju4odquanbnfgiwodvmzjk2nza3ytu3ymeynjjkmtkyotazzddhn2mxzdvknwviztkxmtewnjqyztuyoduzmtrlmdnlntdkztm.jpeg)
