![CAS 2381854-90-4 4-Pyridinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (αS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2381854-90-4.gif)
CAS RN: 2381854-90-4
4-Pyridinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]-, (αS)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-116039
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: 0.1g, 0.25g, 1g, 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.
2381854-90-4 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-pyridin-4-ylpropanoic acid
Basic Information
CAS
2381854-90-4
Multi CAS
No
Molecular Formula
C24H22N2O4
Molecular Weight
402.400000
Exact Mass
402.157957
SMILES
CN([C@@H](CC1=CC=NC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H22N2O4/c1-26(22(23(27)28)14-16-10-12-25-13-11-16)24(29)30-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,27,28)/t22-/m0/s1
InChIKey
IZGNJWPYTSZXBJ-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
112.2
TPSA
79.73
LogP / Solubility
WLOGP
3.96
MLOGP
3.51
XLogP3
3.8
Consensus LogP
3.76
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
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)
-2.36
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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