CAS RN: 947669-91-2
WWL70
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14 package records11 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260618 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260506 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260221 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250916 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251023 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250502 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260610 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250928 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS947669-91-2
- Purity/Analytical Methods: >99.0%
947669-91-2 / [4-(4-carbamoylphenyl)phenyl] N-methyl-N-[(3-pyridin-4-ylphenyl)methyl]carbamate
Basic Information
CAS
947669-91-2
Multi CAS
No
Molecular Formula
C27H23N3O3
Molecular Weight
437.500000
Exact Mass
437.173942
InChI
InChI=1S/C27H23N3O3/c1-30(18-19-3-2-4-24(17-19)22-13-15-29-16-14-22)27(32)33-25-11-9-21(10-12-25)20-5-7-23(8-6-20)26(28)31/h2-17H,18H2,1H3,(H2,28,31)
InChIKey
QTWNORFUQILKJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
127.56
TPSA
85.52
LogP / Solubility
WLOGP
5.15
MLOGP
4.56
XLogP3
4.2
Consensus LogP
4.64
Log S (ESOL)
-5.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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