CAS RN: 844884-98-6
3-CHLORO-3′,5′-DIMETHYLBENZOPHENONE
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.20260125 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS844884-98-6
- Purity/Analytical Methods: >99.0%
844884-98-6 / (3-chlorophenyl)-(3,5-dimethylphenyl)methanone
Basic Information
CAS
844884-98-6
Multi CAS
No
Molecular Formula
C15H13CLO
Molecular Weight
244.710000
Exact Mass
244.065493
InChI
InChI=1S/C15H13ClO/c1-10-6-11(2)8-13(7-10)15(17)12-4-3-5-14(16)9-12/h3-9H,1-2H3
InChIKey
OCPWBOXLLXYQCF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
70.8
TPSA
17.07
LogP / Solubility
WLOGP
4.19
MLOGP
3.69
XLogP3
4.6
Consensus LogP
4.16
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
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)
-1.24
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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