CAS RN: 39604-68-7
2′-Hydroxy-4′,6′-dimethoxy-2-(4-methoxyphenyl)acetophenone
- Product code: SSC-147290
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 | Shanghai | Inquiry |
39604-68-7 / 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
Basic Information
CAS
39604-68-7
Multi CAS
No
Molecular Formula
C17H18O5
Molecular Weight
302.320000
Exact Mass
302.115424
InChI
InChI=1S/C17H18O5/c1-20-12-6-4-11(5-7-12)8-14(18)17-15(19)9-13(21-2)10-16(17)22-3/h4-7,9-10,19H,8H2,1-3H3
InChIKey
ROJOJPXRGHLGTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.24
TPSA
64.99
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3.3
Consensus LogP
2.88
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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4′-Hydroxychalcone
- CAS RN: 2657-25-2
- Product Code: ICTH0945
- Purity/Analytical method: >95.0%(GC)
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