![CAS 2517968-35-1 Furan, 3-[4-[(2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2517968-35-1.gif)
CAS RN: 2517968-35-1
Furan, 3-[4-[(2-chlorophenyl)methyl]phenoxy]tetrahydro-, (3S)-
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.20250730 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2517968-35-1
- Purity/Analytical Methods: >99.0%
2517968-35-1 / (3S)-3-[4-[(2-chlorophenyl)methyl]phenoxy]oxolane
Basic Information
CAS
2517968-35-1
Multi CAS
No
Molecular Formula
C17H17ClO2
Molecular Weight
288.800000
Exact Mass
288.091708
SMILES
C1COC[C@H]1OC2=CC=C(C=C2)CC3=CC=CC=C3Cl
InChI
InChI=1S/C17H17ClO2/c18-17-4-2-1-3-14(17)11-13-5-7-15(8-6-13)20-16-9-10-19-12-16/h1-8,16H,9-12H2/t16-/m0/s1
InChIKey
JYZBRIZBJDEAIX-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
80.55
TPSA
18.46
LogP / Solubility
WLOGP
4.1
MLOGP
3.62
XLogP3
4.5
Consensus LogP
4.07
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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