CAS RN: 947669-86-5
WWL113
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS947669-86-5
- Purity/Analytical Methods: >99.0%
947669-86-5 / ethyl 4-[4-[methyl-[(3-pyridin-4-ylphenyl)methyl]carbamoyl]oxyphenyl]benzoate
Basic Information
CAS
947669-86-5
Multi CAS
No
Molecular Formula
C29H26N2O4
Molecular Weight
466.500000
Exact Mass
466.189257
InChI
InChI=1S/C29H26N2O4/c1-3-34-28(32)25-9-7-22(8-10-25)23-11-13-27(14-12-23)35-29(33)31(2)20-21-5-4-6-26(19-21)24-15-17-30-18-16-24/h4-19H,3,20H2,1-2H3
InChIKey
AKIIPHDGVCFVCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
135
TPSA
68.73
LogP / Solubility
WLOGP
6.22
MLOGP
5.51
XLogP3
5.6
Consensus LogP
5.78
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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