CAS RN: 62895-39-0
3,8-DI-(ETHOXYCARBONYLAMINO)-6-PHENYLPHENANTHRIDINE
- Product code: SSC-172279
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
62895-39-0 / ethyl N-[3-(ethoxycarbonylamino)-6-phenylphenanthridin-8-yl]carbamate
Basic Information
CAS
62895-39-0
Multi CAS
Yes
Molecular Formula
C25H23N3O4
Molecular Weight
429.500000
Exact Mass
429.168856
InChI
InChI=1S/C25H23N3O4/c1-3-31-24(29)26-17-10-12-19-20-13-11-18(27-25(30)32-4-2)15-22(20)28-23(21(19)14-17)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
VPBJQVYUYWKCCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
20
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
125.97
TPSA
89.55
LogP / Solubility
WLOGP
6.19
MLOGP
5.48
XLogP3
5
Consensus LogP
5.56
Log S (ESOL)
-6.54
Class (ESOL)
Insoluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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- Product Code: SSC-172281
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