CAS RN: 1234015-61-2
1-(2-Methoxy-6-(4-Methoxybenzyloxy)phenyl)ethanone
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: SSC-027106
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: 1g, 0.1g, 0.25g
- 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.
1234015-61-2 / 1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]ethanone
Basic Information
CAS
1234015-61-2
Multi CAS
No
Molecular Formula
C17H18O4
Molecular Weight
286.320000
Exact Mass
286.120509
SMILES
CC(=O)C1=C(C=CC=C1OCC2=CC=C(C=C2)OC)OC
InChI
InChI=1S/C17H18O4/c1-12(18)17-15(20-3)5-4-6-16(17)21-11-13-7-9-14(19-2)10-8-13/h4-10H,11H2,1-3H3
InChIKey
RSNLDCUXHLFIRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
80.32
TPSA
44.76
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3
Consensus LogP
3.19
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
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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![CAS 1234271-15-8 4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 1,3-dibromo-5-(2-octyldodecyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234271-15-8.gif)
![CAS 1234306-57-0 IN1618, 1,3-Dibromo-5-(2-hexyldecyl)-4H-thieno[3,4-c]pyrr1,3-Dibromo-5-(2-hexyldecyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dioneole-4,6(5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1234306-57-0.gif)
