CAS RN: 586976-24-1
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Product Availability
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6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS586976-24-1
- Purity/Analytical Methods: >99.0%
586976-24-1 / N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-pentadecylbenzamide
Basic Information
CAS
586976-24-1
Multi CAS
No
Molecular Formula
C31H43CLF3NO2
Molecular Weight
554.100000
Exact Mass
553.293442
InChI
InChI=1S/C31H43ClF3NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-24-19-17-20-28(38-4-2)29(24)30(37)36-25-21-22-27(32)26(23-25)31(33,34)35/h17,19-23H,3-16,18H2,1-2H3,(H,36,37)
InChIKey
OYBMVMAXKOGYDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.58
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
1
Molar refractivity
151.42
TPSA
38.33
LogP / Solubility
WLOGP
10.64
MLOGP
9.41
XLogP3
12.4
Consensus LogP
10.82
Log S (ESOL)
-9.03
Class (ESOL)
Insoluble
Log S (Ali)
-11.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.46
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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