CAS RN: 1217722-24-1
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-phenylpropanoic acid
- Product code: SSC-024496
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 | Shenzhen | Inquiry |
1217722-24-1 / (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylpropanoic acid
Basic Information
CAS
1217722-24-1
Multi CAS
No
Molecular Formula
C24H21NO4
Molecular Weight
387.400000
Exact Mass
387.147058
SMILES
C1=CC=C(C=C1)[C@H](CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C24H21NO4/c26-23(27)21(16-8-2-1-3-9-16)14-25-24(28)29-15-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKey
ZPTZPWOHBIHMIJ-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.89
TPSA
75.63
LogP / Solubility
WLOGP
4.39
MLOGP
3.89
XLogP3
4.3
Consensus LogP
4.19
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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