CAS RN: 61259-84-5
4-CHLORO-3′,5′-DIMETHYL-4′-METHOXYBENZOPHENONE
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.20250308 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61259-84-5
- Purity/Analytical Methods: >99.0%
61259-84-5 / (4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
Basic Information
CAS
61259-84-5
Multi CAS
No
Molecular Formula
C16H15CLO2
Molecular Weight
274.740000
Exact Mass
274.076057
InChI
InChI=1S/C16H15ClO2/c1-10-8-13(9-11(2)16(10)19-3)15(18)12-4-6-14(17)7-5-12/h4-9H,1-3H3
InChIKey
VCOQTPORNRFKDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
77.35
TPSA
26.3
LogP / Solubility
WLOGP
4.2
MLOGP
3.7
XLogP3
4.6
Consensus LogP
4.17
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
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)
-1.42
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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