![CAS 281655-48-9 (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-5-yl)propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281655-48-9.png)
CAS RN: 281655-48-9
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-5-yl)propanoic acid
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.20260620 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-128899
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
281655-48-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyrimidin-5-ylpropanoic acid
Basic Information
CAS
281655-48-9
Multi CAS
Yes
Molecular Formula
C22H19N3O4
Molecular Weight
389.400000
Exact Mass
389.137556
InChI
InChI=1S/C22H19N3O4/c26-21(27)20(9-14-10-23-13-24-11-14)25-22(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,10-11,13,19-20H,9,12H2,(H,25,28)(H,26,27)/t20-/m0/s1
InChIKey
OWEHJEIYGWDZHJ-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.36
TPSA
101.41
LogP / Solubility
WLOGP
3.01
MLOGP
2.67
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96
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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![CAS 281655-71-8 (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281655-71-8.png)
![CAS 281656-91-5 ETHYL 2-AMINO-6-ETHYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/281656-91-5.png)
