CAS RN: 899809-61-1
4-hydroxy-N,N-diphenyl-(4R)-2-Pentynamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-202237
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
899809-61-1 / (4R)-4-hydroxy-N,N-diphenylpent-2-ynamide
Basic Information
CAS
899809-61-1
Multi CAS
Yes
Molecular Formula
C17H15NO2
Molecular Weight
265.310000
Exact Mass
265.110279
InChI
InChI=1S/C17H15NO2/c1-14(19)12-13-17(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,19H,1H3/t14-/m1/s1
InChIKey
YGFCFRBHEOHPJI-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.49
TPSA
40.54
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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