CAS RN: 170278-50-9
N-Succinimidyl 3-(Diphenylphosphino)propionate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-074872
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: >97%
- 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 | >97% | 0 Out of Stock | Beijing | Inquiry |
170278-50-9 / (2,5-dioxopyrrolidin-1-yl) 3-diphenylphosphanylpropanoate
Basic Information
CAS
170278-50-9
Multi CAS
No
Molecular Formula
C19H18NO4P
Molecular Weight
355.300000
Exact Mass
355.097345
SMILES
C1CC(=O)N(C1=O)OC(=O)CCP(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18NO4P/c21-17-11-12-18(22)20(17)24-19(23)13-14-25(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
QRRPSWGREIRROT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
95.74
TPSA
63.68
LogP / Solubility
WLOGP
2.12
MLOGP
1.88
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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