CAS RN: 24318-02-3
1-chloro-3-phenylmethoxy-benzene
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.20251128 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24318-02-3
- Purity/Analytical Methods: >99.0%
24318-02-3 / 1-chloro-3-phenylmethoxybenzene
Basic Information
CAS
24318-02-3
Multi CAS
No
Molecular Formula
C13H11ClO
Molecular Weight
218.680000
Exact Mass
218.049843
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H11ClO/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKey
WIJUFHLXUSIELP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
62.23
TPSA
9.23
LogP / Solubility
WLOGP
3.92
MLOGP
3.45
XLogP3
4.4
Consensus LogP
3.92
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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