CAS RN: 2016795-77-8
EC330
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251129 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250123 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251202 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250706 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250403 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250729 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250828 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-095083
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
2016795-77-8 / (8S,11R,13S,14S,17S)-11-(4-cyclopropylphenyl)-17-(1,1-difluoroprop-2-ynyl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Basic Information
CAS
2016795-77-8
Multi CAS
No
Molecular Formula
C30H32F2O2
Molecular Weight
462.600000
Exact Mass
462.237037
SMILES
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C#C)(F)F)O)C5=CC=C(C=C5)C6CC6
InChI
InChI=1S/C30H32F2O2/c1-3-30(31,32)29(34)15-14-26-24-12-10-21-16-22(33)11-13-23(21)27(24)25(17-28(26,29)2)20-8-6-19(7-9-20)18-4-5-18/h1,6-9,16,18,24-26,34H,4-5,10-15,17H2,2H3/t24-,25+,26-,28-,29-/m0/s1
InChIKey
OWPPSPZDYGHPAN-GCNJZUOMSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
127.41
TPSA
37.3
LogP / Solubility
WLOGP
6.46
MLOGP
5.72
XLogP3
4.7
Consensus LogP
5.63
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.95
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
6.5
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