CAS RN: 511272-37-0
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2,4-dichlorophenyl)propanoic acid
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
- Product code: SSC-157932
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 | Beijing | Inquiry |
511272-37-0 / (3R)-3-(2,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Basic Information
CAS
511272-37-0
Multi CAS
Yes
Molecular Formula
C24H19CL2NO4
Molecular Weight
456.300000
Exact Mass
455.069114
InChI
InChI=1S/C24H19Cl2NO4/c25-14-9-10-19(21(26)11-14)22(12-23(28)29)27-24(30)31-13-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-11,20,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m1/s1
InChIKey
GQCANHDOGYQXNY-JOCHJYFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.66
TPSA
75.63
LogP / Solubility
WLOGP
6.05
MLOGP
5.35
XLogP3
5.3
Consensus LogP
5.57
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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