![CAS 178445-86-8 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/178445-86-8.gif)
CAS RN: 178445-86-8
1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE
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.20260523 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079148
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
178445-86-8 / tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy]acetate
Basic Information
CAS
178445-86-8
Multi CAS
No
Molecular Formula
C23H28O6
Molecular Weight
400.500000
Exact Mass
400.188589
SMILES
CC(C)(C)OC(=O)COC1=CC=CC(=C1)C(=O)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C23H28O6/c1-23(2,3)29-22(25)15-28-18-8-6-7-17(14-18)19(24)11-9-16-10-12-20(26-4)21(13-16)27-5/h6-8,10,12-14H,9,11,15H2,1-5H3
InChIKey
ALZNWMXUAQSCSA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
6
Molar refractivity
109.98
TPSA
71.06
LogP / Solubility
WLOGP
4.24
MLOGP
3.76
XLogP3
4.3
Consensus LogP
4.1
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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