CAS RN: 1623144-96-6
Methyl 3-Cyclobutyl-3-(3-hydroxyphenyl)propanoate
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.20250122 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069875
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: 0.25g, 1g, 5g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
1623144-96-6 / methyl 3-cyclobutyl-3-(3-hydroxyphenyl)propanoate
Basic Information
CAS
1623144-96-6
Multi CAS
No
Molecular Formula
C14H18O3
Molecular Weight
234.290000
Exact Mass
234.125594
SMILES
COC(=O)CC(C1CCC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H18O3/c1-17-14(16)9-13(10-4-2-5-10)11-6-3-7-12(15)8-11/h3,6-8,10,13,15H,2,4-5,9H2,1H3
InChIKey
RCMHMWBFRCPMEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.82
TPSA
46.53
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
3.1
Consensus LogP
2.81
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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