CAS RN: 3509-85-1
1-Chloro-2-(dichlorophenylMethyl)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.20250322 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3509-85-1
- Purity/Analytical Methods: >99.0%
3509-85-1 / 1-chloro-2-[dichloro(phenyl)methyl]benzene
Basic Information
CAS
3509-85-1
Multi CAS
No
Molecular Formula
C13H9CL3
Molecular Weight
271.600000
Exact Mass
269.976983
InChI
InChI=1S/C13H9Cl3/c14-12-9-5-4-8-11(12)13(15,16)10-6-2-1-3-7-10/h1-9H
InChIKey
PHRLCYSMTGTXMM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
Molar refractivity
70.38
TPSA
0.0000
LogP / Solubility
WLOGP
5.02
MLOGP
4.43
XLogP3
5.2
Consensus LogP
4.88
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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)
-0.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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