![CAS 1946017-75-9 trans-2-[4-(oxan-2-yloxy)phenyl]cyclopropane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1946017-75-9.gif)
CAS RN: 1946017-75-9
trans-2-[4-(oxan-2-yloxy)phenyl]cyclopropane-1-carboxylic acid
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.20260330 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-091806
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 | Beijing | Inquiry |
1946017-75-9 / trans-(1S,2S)-2-[4-(oxan-2-yloxy)phenyl]cyclopropane-1-carboxylic acid
Basic Information
CAS
1946017-75-9
Multi CAS
No
Molecular Formula
C15H18O4
Molecular Weight
262.300000
Exact Mass
262.120509
SMILES
C1CCOC(C1)OC2=CC=C(C=C2)[C@H]3C[C@@H]3C(=O)O
InChI
InChI=1S/C15H18O4/c16-15(17)13-9-12(13)10-4-6-11(7-5-10)19-14-3-1-2-8-18-14/h4-7,12-14H,1-3,8-9H2,(H,16,17)/t12-,13+,14?/m1/s1
InChIKey
FLOLSBFFDXNKJL-AMIUJLCOSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.14
TPSA
55.76
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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